USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1127 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 77 GLN :FLIP amide:sc= -0.43 F(o=-2.4,f=-1.3) USER MOD Set 1.2: A 115 SER OG : rot -146:sc= -0.883 USER MOD Set 2.1: A 61 SER OG : rot -100:sc= 1.08 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0) USER MOD Set 3.1: A 12 SER OG : rot 98:sc= 0.218 USER MOD Set 3.2: A 15 GLN : amide:sc= 0.17 K(o=0.39,f=-1.5!) USER MOD Single : A 0 SER N :NH3+ 164:sc= -0.0126 (180deg=-0.291) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -170:sc= -1.48 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0856 K(o=-0.086,f=-0.66) USER MOD Single : A 26 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.2) USER MOD Single : A 27 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.308 (180deg=-0.619) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -128:sc= -0.0936! (180deg=-2.96!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.0909 (180deg=-0.622) USER MOD Single : A 57 HIS : no HE2:sc= -5.57! C(o=-5.6!,f=-11!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.344 F(o=-1.3,f=-0.34) USER MOD Single : A 60 MET CE :methyl 157:sc= -4.25! (180deg=-5.44!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 74 ASN : amide:sc=-0.00478 K(o=-0.0048,f=-1) USER MOD Single : A 76 ASN : amide:sc= -2.73! X(o=-2.7!,f=-2.6) USER MOD Single : A 84 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.6!) USER MOD Single : A 86 HIS : no HD1:sc= -9.84! C(o=-9.8!,f=-16!) USER MOD Single : A 87 SER OG : rot 141:sc= -0.872 USER MOD Single : A 88 MET CE :methyl -146:sc= -1.55 (180deg=-2.98!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 49:sc= 1.03 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 161:sc= 0.00401 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -146:sc= 0.655 USER MOD Single : A 111 MET CE :methyl -133:sc= -2.59 (180deg=-4.84!) USER MOD Single : A 113 TYR OH : rot 34:sc= 0.107 USER MOD Single : A 116 GLN :FLIP amide:sc= -2.13! C(o=-3!,f=-2.1!) USER MOD Single : A 118 THR OG1 : rot 56:sc= 0.474 USER MOD Single : B 331 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 332 SER OG : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot -140:sc= -0.154 USER MOD Single : B 340 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot -100:sc= -0.748 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.212 -14.990 -3.573 1.00 13.40 N ATOM 2 CA SER A 0 -25.922 -14.350 -4.667 1.00 44.32 C ATOM 3 C SER A 0 -25.651 -12.844 -4.655 1.00 24.50 C ATOM 4 O SER A 0 -26.551 -12.046 -4.912 1.00 54.43 O ATOM 5 CB SER A 0 -27.425 -14.619 -4.580 1.00 50.33 C ATOM 6 OG SER A 0 -27.967 -14.221 -3.323 1.00 54.05 O ATOM 0 H1 SER A 0 -25.601 -15.942 -3.416 1.00 13.40 H new ATOM 0 H2 SER A 0 -24.202 -15.064 -3.810 1.00 13.40 H new ATOM 0 H3 SER A 0 -25.324 -14.424 -2.708 1.00 13.40 H new ATOM 0 HA SER A 0 -25.559 -14.771 -5.604 1.00 44.32 H new ATOM 0 HB2 SER A 0 -27.936 -14.084 -5.381 1.00 50.33 H new ATOM 0 HB3 SER A 0 -27.613 -15.681 -4.736 1.00 50.33 H new ATOM 0 HG SER A 0 -28.929 -14.408 -3.308 1.00 54.05 H new ATOM 13 N MET A 1 -24.407 -12.501 -4.354 1.00 31.35 N ATOM 14 CA MET A 1 -24.006 -11.106 -4.306 1.00 61.55 C ATOM 15 C MET A 1 -22.631 -10.908 -4.948 1.00 74.03 C ATOM 16 O MET A 1 -21.855 -11.854 -5.065 1.00 34.20 O ATOM 17 CB MET A 1 -23.962 -10.637 -2.849 1.00 3.04 C ATOM 18 CG MET A 1 -23.340 -11.707 -1.948 1.00 13.42 C ATOM 19 SD MET A 1 -23.247 -11.110 -0.268 1.00 33.40 S ATOM 20 CE MET A 1 -24.329 -12.279 0.537 1.00 2.42 C ATOM 0 H MET A 1 -23.663 -13.166 -4.141 1.00 31.35 H new ATOM 0 HA MET A 1 -24.735 -10.519 -4.864 1.00 61.55 H new ATOM 0 HB2 MET A 1 -23.385 -9.715 -2.777 1.00 3.04 H new ATOM 0 HB3 MET A 1 -24.971 -10.409 -2.506 1.00 3.04 H new ATOM 0 HG2 MET A 1 -23.937 -12.618 -1.986 1.00 13.42 H new ATOM 0 HG3 MET A 1 -22.343 -11.963 -2.308 1.00 13.42 H new ATOM 0 HE1 MET A 1 -24.385 -12.050 1.601 1.00 2.42 H new ATOM 0 HE2 MET A 1 -25.325 -12.215 0.099 1.00 2.42 H new ATOM 0 HE3 MET A 1 -23.939 -13.288 0.403 1.00 2.42 H new ATOM 30 N PRO A 2 -22.366 -9.638 -5.357 1.00 72.22 N ATOM 31 CA PRO A 2 -21.099 -9.303 -5.985 1.00 32.22 C ATOM 32 C PRO A 2 -19.974 -9.242 -4.949 1.00 33.04 C ATOM 33 O PRO A 2 -20.032 -8.449 -4.011 1.00 20.31 O ATOM 34 CB PRO A 2 -21.342 -7.973 -6.677 1.00 4.41 C ATOM 35 CG PRO A 2 -22.587 -7.387 -6.030 1.00 61.45 C ATOM 36 CD PRO A 2 -23.262 -8.492 -5.234 1.00 64.53 C ATOM 0 HA PRO A 2 -20.773 -10.056 -6.703 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -20.488 -7.307 -6.554 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -21.487 -8.111 -7.748 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -22.323 -6.554 -5.379 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -23.264 -6.995 -6.789 1.00 61.45 H new ATOM 0 HD2 PRO A 2 -23.396 -8.204 -4.191 1.00 64.53 H new ATOM 0 HD3 PRO A 2 -24.251 -8.718 -5.631 1.00 64.53 H new ATOM 44 N SER A 3 -18.976 -10.088 -5.156 1.00 54.55 N ATOM 45 CA SER A 3 -17.839 -10.140 -4.252 1.00 22.24 C ATOM 46 C SER A 3 -16.765 -11.073 -4.815 1.00 14.34 C ATOM 47 O SER A 3 -17.056 -11.927 -5.650 1.00 50.13 O ATOM 48 CB SER A 3 -18.265 -10.602 -2.857 1.00 33.41 C ATOM 49 OG SER A 3 -19.114 -11.744 -2.909 1.00 60.34 O ATOM 0 H SER A 3 -18.931 -10.743 -5.936 1.00 54.55 H new ATOM 0 HA SER A 3 -17.427 -9.135 -4.162 1.00 22.24 H new ATOM 0 HB2 SER A 3 -17.379 -10.835 -2.266 1.00 33.41 H new ATOM 0 HB3 SER A 3 -18.782 -9.789 -2.348 1.00 33.41 H new ATOM 0 HG SER A 3 -19.362 -12.009 -1.999 1.00 60.34 H new ATOM 55 N GLU A 4 -15.546 -10.877 -4.336 1.00 34.45 N ATOM 56 CA GLU A 4 -14.427 -11.690 -4.781 1.00 54.11 C ATOM 57 C GLU A 4 -13.358 -11.764 -3.688 1.00 11.33 C ATOM 58 O GLU A 4 -13.204 -10.832 -2.900 1.00 33.54 O ATOM 59 CB GLU A 4 -13.841 -11.148 -6.086 1.00 54.23 C ATOM 60 CG GLU A 4 -12.835 -10.028 -5.812 1.00 71.21 C ATOM 61 CD GLU A 4 -12.443 -9.315 -7.108 1.00 41.21 C ATOM 62 OE1 GLU A 4 -13.222 -8.502 -7.628 1.00 71.45 O ATOM 63 OE2 GLU A 4 -11.283 -9.631 -7.575 1.00 44.24 O ATOM 0 H GLU A 4 -15.308 -10.167 -3.644 1.00 34.45 H new ATOM 0 HA GLU A 4 -14.790 -12.699 -4.976 1.00 54.11 H new ATOM 0 HB2 GLU A 4 -13.352 -11.955 -6.632 1.00 54.23 H new ATOM 0 HB3 GLU A 4 -14.644 -10.773 -6.721 1.00 54.23 H new ATOM 0 HG2 GLU A 4 -13.265 -9.310 -5.114 1.00 71.21 H new ATOM 0 HG3 GLU A 4 -11.946 -10.441 -5.337 1.00 71.21 H new ATOM 71 N LYS A 5 -12.646 -12.882 -3.678 1.00 65.13 N ATOM 72 CA LYS A 5 -11.595 -13.089 -2.695 1.00 64.22 C ATOM 73 C LYS A 5 -10.609 -11.921 -2.754 1.00 42.21 C ATOM 74 O LYS A 5 -10.865 -10.921 -3.422 1.00 42.45 O ATOM 75 CB LYS A 5 -10.940 -14.458 -2.893 1.00 3.33 C ATOM 76 CG LYS A 5 -11.972 -15.581 -2.781 1.00 34.13 C ATOM 77 CD LYS A 5 -11.360 -16.928 -3.170 1.00 12.43 C ATOM 78 CE LYS A 5 -11.245 -17.061 -4.690 1.00 30.32 C ATOM 79 NZ LYS A 5 -11.354 -18.479 -5.096 1.00 30.40 N ATOM 0 H LYS A 5 -12.776 -13.653 -4.334 1.00 65.13 H new ATOM 0 HA LYS A 5 -12.012 -13.103 -1.688 1.00 64.22 H new ATOM 0 HB2 LYS A 5 -10.459 -14.497 -3.871 1.00 3.33 H new ATOM 0 HB3 LYS A 5 -10.158 -14.602 -2.147 1.00 3.33 H new ATOM 0 HG2 LYS A 5 -12.351 -15.631 -1.760 1.00 34.13 H new ATOM 0 HG3 LYS A 5 -12.823 -15.364 -3.427 1.00 34.13 H new ATOM 0 HD2 LYS A 5 -10.373 -17.027 -2.717 1.00 12.43 H new ATOM 0 HD3 LYS A 5 -11.974 -17.738 -2.776 1.00 12.43 H new ATOM 0 HE2 LYS A 5 -12.029 -16.477 -5.172 1.00 30.32 H new ATOM 0 HE3 LYS A 5 -10.292 -16.653 -5.026 1.00 30.32 H new ATOM 0 HZ1 LYS A 5 -11.274 -18.551 -6.130 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 -10.591 -19.027 -4.651 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 -12.274 -18.857 -4.793 1.00 30.40 H new ATOM 92 N THR A 6 -9.501 -12.087 -2.046 1.00 33.53 N ATOM 93 CA THR A 6 -8.476 -11.058 -2.010 1.00 4.02 C ATOM 94 C THR A 6 -7.126 -11.635 -2.445 1.00 30.43 C ATOM 95 O THR A 6 -6.904 -12.841 -2.353 1.00 52.20 O ATOM 96 CB THR A 6 -8.455 -10.460 -0.602 1.00 22.24 C ATOM 97 OG1 THR A 6 -8.524 -11.595 0.258 1.00 4.11 O ATOM 98 CG2 THR A 6 -9.727 -9.673 -0.282 1.00 10.13 C ATOM 0 H THR A 6 -9.291 -12.918 -1.493 1.00 33.53 H new ATOM 0 HA THR A 6 -8.695 -10.257 -2.716 1.00 4.02 H new ATOM 0 HB THR A 6 -7.588 -9.808 -0.497 1.00 22.24 H new ATOM 0 HG1 THR A 6 -8.674 -11.298 1.180 1.00 4.11 H new ATOM 0 HG21 THR A 6 -9.661 -9.270 0.729 1.00 10.13 H new ATOM 0 HG22 THR A 6 -9.837 -8.854 -0.993 1.00 10.13 H new ATOM 0 HG23 THR A 6 -10.591 -10.334 -0.353 1.00 10.13 H new ATOM 106 N PHE A 7 -6.261 -10.746 -2.908 1.00 14.25 N ATOM 107 CA PHE A 7 -4.939 -11.151 -3.358 1.00 2.32 C ATOM 108 C PHE A 7 -4.302 -12.131 -2.370 1.00 75.30 C ATOM 109 O PHE A 7 -3.440 -12.923 -2.747 1.00 5.33 O ATOM 110 CB PHE A 7 -4.083 -9.886 -3.427 1.00 22.33 C ATOM 111 CG PHE A 7 -4.199 -9.127 -4.751 1.00 1.32 C ATOM 112 CD1 PHE A 7 -5.321 -8.410 -5.027 1.00 42.21 C ATOM 113 CD2 PHE A 7 -3.181 -9.171 -5.651 1.00 23.32 C ATOM 114 CE1 PHE A 7 -5.428 -7.706 -6.256 1.00 62.01 C ATOM 115 CE2 PHE A 7 -3.288 -8.468 -6.879 1.00 4.32 C ATOM 116 CZ PHE A 7 -4.410 -7.750 -7.156 1.00 45.41 C ATOM 0 H PHE A 7 -6.449 -9.746 -2.982 1.00 14.25 H new ATOM 0 HA PHE A 7 -5.010 -11.646 -4.326 1.00 2.32 H new ATOM 0 HB2 PHE A 7 -4.370 -9.221 -2.612 1.00 22.33 H new ATOM 0 HB3 PHE A 7 -3.040 -10.157 -3.265 1.00 22.33 H new ATOM 0 HD1 PHE A 7 -6.130 -8.376 -4.312 1.00 42.21 H new ATOM 0 HD2 PHE A 7 -2.291 -9.741 -5.431 1.00 23.32 H new ATOM 0 HE1 PHE A 7 -6.318 -7.136 -6.476 1.00 62.01 H new ATOM 0 HE2 PHE A 7 -2.479 -8.503 -7.594 1.00 4.32 H new ATOM 0 HZ PHE A 7 -4.492 -7.215 -8.091 1.00 45.41 H new ATOM 126 N LYS A 8 -4.751 -12.045 -1.127 1.00 44.22 N ATOM 127 CA LYS A 8 -4.234 -12.914 -0.084 1.00 32.53 C ATOM 128 C LYS A 8 -4.784 -14.328 -0.284 1.00 55.43 C ATOM 129 O LYS A 8 -4.051 -15.307 -0.159 1.00 63.02 O ATOM 130 CB LYS A 8 -4.534 -12.328 1.299 1.00 13.04 C ATOM 131 CG LYS A 8 -6.040 -12.147 1.502 1.00 74.23 C ATOM 132 CD LYS A 8 -6.360 -11.832 2.965 1.00 43.31 C ATOM 133 CE LYS A 8 -5.640 -10.561 3.422 1.00 73.45 C ATOM 134 NZ LYS A 8 -5.893 -10.310 4.859 1.00 62.03 N ATOM 0 H LYS A 8 -5.467 -11.387 -0.819 1.00 44.22 H new ATOM 0 HA LYS A 8 -3.148 -12.982 -0.149 1.00 32.53 H new ATOM 0 HB2 LYS A 8 -4.136 -12.986 2.071 1.00 13.04 H new ATOM 0 HB3 LYS A 8 -4.031 -11.367 1.408 1.00 13.04 H new ATOM 0 HG2 LYS A 8 -6.403 -11.341 0.865 1.00 74.23 H new ATOM 0 HG3 LYS A 8 -6.563 -13.053 1.198 1.00 74.23 H new ATOM 0 HD2 LYS A 8 -7.436 -11.709 3.087 1.00 43.31 H new ATOM 0 HD3 LYS A 8 -6.062 -12.670 3.595 1.00 43.31 H new ATOM 0 HE2 LYS A 8 -4.569 -10.660 3.247 1.00 73.45 H new ATOM 0 HE3 LYS A 8 -5.982 -9.710 2.832 1.00 73.45 H new ATOM 0 HZ1 LYS A 8 -5.397 -9.444 5.153 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 -6.914 -10.195 5.017 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 -5.545 -11.115 5.418 1.00 62.03 H new ATOM 147 N GLN A 9 -6.072 -14.389 -0.593 1.00 11.21 N ATOM 148 CA GLN A 9 -6.728 -15.666 -0.813 1.00 54.31 C ATOM 149 C GLN A 9 -6.663 -16.050 -2.292 1.00 44.42 C ATOM 150 O GLN A 9 -6.039 -17.047 -2.652 1.00 24.31 O ATOM 151 CB GLN A 9 -8.176 -15.630 -0.319 1.00 22.42 C ATOM 152 CG GLN A 9 -8.247 -15.858 1.191 1.00 2.22 C ATOM 153 CD GLN A 9 -9.536 -16.586 1.576 1.00 30.23 C ATOM 154 OE1 GLN A 9 -9.989 -17.498 0.905 1.00 60.23 O ATOM 155 NE2 GLN A 9 -10.100 -16.132 2.692 1.00 51.32 N ATOM 0 H GLN A 9 -6.678 -13.575 -0.696 1.00 11.21 H new ATOM 0 HA GLN A 9 -6.200 -16.427 -0.238 1.00 54.31 H new ATOM 0 HB2 GLN A 9 -8.624 -14.668 -0.566 1.00 22.42 H new ATOM 0 HB3 GLN A 9 -8.758 -16.394 -0.833 1.00 22.42 H new ATOM 0 HG2 GLN A 9 -7.385 -16.441 1.515 1.00 2.22 H new ATOM 0 HG3 GLN A 9 -8.197 -14.901 1.710 1.00 2.22 H new ATOM 0 HE21 GLN A 9 -9.668 -15.364 3.206 1.00 51.32 H new ATOM 0 HE22 GLN A 9 -10.965 -16.551 3.034 1.00 51.32 H new ATOM 164 N ARG A 10 -7.313 -15.237 -3.111 1.00 33.32 N ATOM 165 CA ARG A 10 -7.337 -15.478 -4.544 1.00 63.54 C ATOM 166 C ARG A 10 -5.934 -15.829 -5.046 1.00 21.45 C ATOM 167 O ARG A 10 -5.642 -16.991 -5.319 1.00 12.11 O ATOM 168 CB ARG A 10 -7.850 -14.251 -5.301 1.00 14.11 C ATOM 169 CG ARG A 10 -7.817 -14.487 -6.813 1.00 62.12 C ATOM 170 CD ARG A 10 -8.770 -15.616 -7.211 1.00 31.52 C ATOM 171 NE ARG A 10 -8.984 -15.604 -8.676 1.00 21.25 N ATOM 172 CZ ARG A 10 -9.790 -16.467 -9.330 1.00 24.41 C ATOM 173 NH1 ARG A 10 -10.467 -17.420 -8.655 1.00 13.41 N ATOM 174 NH2 ARG A 10 -9.908 -16.364 -10.641 1.00 1.04 N ATOM 0 H ARG A 10 -7.828 -14.410 -2.809 1.00 33.32 H new ATOM 0 HA ARG A 10 -8.013 -16.313 -4.729 1.00 63.54 H new ATOM 0 HB2 ARG A 10 -8.869 -14.025 -4.987 1.00 14.11 H new ATOM 0 HB3 ARG A 10 -7.239 -13.383 -5.051 1.00 14.11 H new ATOM 0 HG2 ARG A 10 -8.095 -13.571 -7.334 1.00 62.12 H new ATOM 0 HG3 ARG A 10 -6.802 -14.736 -7.124 1.00 62.12 H new ATOM 0 HD2 ARG A 10 -8.358 -16.577 -6.903 1.00 31.52 H new ATOM 0 HD3 ARG A 10 -9.723 -15.498 -6.695 1.00 31.52 H new ATOM 0 HE ARG A 10 -8.492 -14.900 -9.225 1.00 21.25 H new ATOM 0 HH11 ARG A 10 -10.372 -17.492 -7.642 1.00 13.41 H new ATOM 0 HH12 ARG A 10 -11.074 -18.068 -9.158 1.00 13.41 H new ATOM 0 HH21 ARG A 10 -9.394 -15.640 -11.144 1.00 1.04 H new ATOM 0 HH22 ARG A 10 -10.513 -17.008 -11.151 1.00 1.04 H new ATOM 187 N ARG A 11 -5.105 -14.801 -5.152 1.00 45.45 N ATOM 188 CA ARG A 11 -3.740 -14.986 -5.617 1.00 60.44 C ATOM 189 C ARG A 11 -3.004 -15.982 -4.718 1.00 23.52 C ATOM 190 O ARG A 11 -2.939 -15.797 -3.504 1.00 70.40 O ATOM 191 CB ARG A 11 -2.978 -13.660 -5.629 1.00 33.13 C ATOM 192 CG ARG A 11 -2.932 -13.066 -7.038 1.00 63.31 C ATOM 193 CD ARG A 11 -4.288 -12.475 -7.428 1.00 62.03 C ATOM 194 NE ARG A 11 -4.131 -11.573 -8.591 1.00 52.54 N ATOM 195 CZ ARG A 11 -5.114 -10.784 -9.076 1.00 14.32 C ATOM 196 NH1 ARG A 11 -6.335 -10.779 -8.500 1.00 51.33 N ATOM 197 NH2 ARG A 11 -4.863 -10.018 -10.121 1.00 0.21 N ATOM 0 H ARG A 11 -5.352 -13.838 -4.924 1.00 45.45 H new ATOM 0 HA ARG A 11 -3.786 -15.374 -6.634 1.00 60.44 H new ATOM 0 HB2 ARG A 11 -3.457 -12.955 -4.949 1.00 33.13 H new ATOM 0 HB3 ARG A 11 -1.963 -13.816 -5.263 1.00 33.13 H new ATOM 0 HG2 ARG A 11 -2.167 -12.291 -7.085 1.00 63.31 H new ATOM 0 HG3 ARG A 11 -2.649 -13.838 -7.753 1.00 63.31 H new ATOM 0 HD2 ARG A 11 -4.987 -13.276 -7.670 1.00 62.03 H new ATOM 0 HD3 ARG A 11 -4.711 -11.926 -6.586 1.00 62.03 H new ATOM 0 HE ARG A 11 -3.223 -11.546 -9.055 1.00 52.54 H new ATOM 0 HH11 ARG A 11 -6.520 -11.374 -7.693 1.00 51.33 H new ATOM 0 HH12 ARG A 11 -7.072 -10.180 -8.872 1.00 51.33 H new ATOM 0 HH21 ARG A 11 -3.938 -10.028 -10.550 1.00 0.21 H new ATOM 0 HH22 ARG A 11 -5.594 -9.416 -10.500 1.00 0.21 H new ATOM 210 N SER A 12 -2.468 -17.016 -5.349 1.00 42.14 N ATOM 211 CA SER A 12 -1.740 -18.042 -4.622 1.00 40.31 C ATOM 212 C SER A 12 -0.474 -17.445 -4.003 1.00 43.33 C ATOM 213 O SER A 12 0.360 -16.881 -4.709 1.00 14.04 O ATOM 214 CB SER A 12 -1.380 -19.215 -5.535 1.00 20.01 C ATOM 215 OG SER A 12 -2.319 -19.372 -6.597 1.00 61.51 O ATOM 0 H SER A 12 -2.523 -17.166 -6.356 1.00 42.14 H new ATOM 0 HA SER A 12 -2.384 -18.419 -3.828 1.00 40.31 H new ATOM 0 HB2 SER A 12 -0.385 -19.059 -5.951 1.00 20.01 H new ATOM 0 HB3 SER A 12 -1.340 -20.133 -4.948 1.00 20.01 H new ATOM 0 HG SER A 12 -1.966 -18.953 -7.410 1.00 61.51 H new ATOM 221 N PHE A 13 -0.372 -17.588 -2.690 1.00 41.44 N ATOM 222 CA PHE A 13 0.777 -17.070 -1.967 1.00 63.33 C ATOM 223 C PHE A 13 2.068 -17.298 -2.756 1.00 44.41 C ATOM 224 O PHE A 13 2.789 -16.349 -3.061 1.00 20.03 O ATOM 225 CB PHE A 13 0.858 -17.838 -0.646 1.00 2.14 C ATOM 226 CG PHE A 13 1.455 -17.029 0.508 1.00 71.11 C ATOM 227 CD1 PHE A 13 0.950 -15.803 0.812 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.491 -17.535 1.229 1.00 5.52 C ATOM 229 CE1 PHE A 13 1.504 -15.053 1.883 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.045 -16.784 2.299 1.00 33.33 C ATOM 231 CZ PHE A 13 2.540 -15.559 2.604 1.00 61.43 C ATOM 0 H PHE A 13 -1.067 -18.055 -2.108 1.00 41.44 H new ATOM 0 HA PHE A 13 0.664 -15.998 -1.807 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.143 -18.166 -0.366 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.458 -18.736 -0.796 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.128 -15.400 0.239 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.892 -18.508 0.988 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.102 -14.080 2.125 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.868 -17.186 2.871 1.00 33.33 H new ATOM 0 HZ PHE A 13 2.961 -14.988 3.418 1.00 61.43 H new ATOM 241 N GLU A 14 2.322 -18.561 -3.061 1.00 55.44 N ATOM 242 CA GLU A 14 3.514 -18.926 -3.808 1.00 2.44 C ATOM 243 C GLU A 14 3.570 -18.155 -5.129 1.00 21.01 C ATOM 244 O GLU A 14 4.647 -17.780 -5.589 1.00 32.24 O ATOM 245 CB GLU A 14 3.569 -20.435 -4.051 1.00 3.33 C ATOM 246 CG GLU A 14 3.934 -21.184 -2.769 1.00 34.15 C ATOM 247 CD GLU A 14 4.328 -22.631 -3.072 1.00 72.44 C ATOM 248 OE1 GLU A 14 5.523 -22.931 -3.221 1.00 44.41 O ATOM 249 OE2 GLU A 14 3.343 -23.460 -3.149 1.00 21.22 O ATOM 0 H GLU A 14 1.723 -19.346 -2.805 1.00 55.44 H new ATOM 0 HA GLU A 14 4.387 -18.655 -3.215 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.603 -20.783 -4.417 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.303 -20.655 -4.827 1.00 3.33 H new ATOM 0 HG2 GLU A 14 4.759 -20.676 -2.269 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.088 -21.170 -2.082 1.00 34.15 H new ATOM 257 N GLN A 15 2.394 -17.943 -5.702 1.00 45.15 N ATOM 258 CA GLN A 15 2.296 -17.223 -6.961 1.00 41.13 C ATOM 259 C GLN A 15 2.702 -15.761 -6.770 1.00 53.54 C ATOM 260 O GLN A 15 3.400 -15.192 -7.610 1.00 72.22 O ATOM 261 CB GLN A 15 0.884 -17.329 -7.543 1.00 53.44 C ATOM 262 CG GLN A 15 0.828 -16.741 -8.955 1.00 54.20 C ATOM 263 CD GLN A 15 -0.438 -17.192 -9.686 1.00 14.33 C ATOM 264 OE1 GLN A 15 -1.217 -17.993 -9.196 1.00 75.04 O ATOM 265 NE2 GLN A 15 -0.600 -16.635 -10.883 1.00 10.33 N ATOM 0 H GLN A 15 1.502 -18.257 -5.319 1.00 45.15 H new ATOM 0 HA GLN A 15 2.983 -17.679 -7.673 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.574 -18.374 -7.568 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.180 -16.803 -6.898 1.00 53.44 H new ATOM 0 HG2 GLN A 15 0.853 -15.653 -8.901 1.00 54.20 H new ATOM 0 HG3 GLN A 15 1.708 -17.053 -9.518 1.00 54.20 H new ATOM 0 HE21 GLN A 15 0.090 -15.971 -11.234 1.00 10.33 H new ATOM 0 HE22 GLN A 15 -1.415 -16.872 -11.450 1.00 10.33 H new ATOM 274 N ARG A 16 2.250 -15.193 -5.662 1.00 3.03 N ATOM 275 CA ARG A 16 2.559 -13.808 -5.351 1.00 14.35 C ATOM 276 C ARG A 16 4.056 -13.645 -5.084 1.00 53.10 C ATOM 277 O ARG A 16 4.738 -12.897 -5.784 1.00 3.11 O ATOM 278 CB ARG A 16 1.775 -13.331 -4.127 1.00 24.11 C ATOM 279 CG ARG A 16 0.279 -13.240 -4.435 1.00 72.42 C ATOM 280 CD ARG A 16 -0.441 -12.364 -3.407 1.00 11.40 C ATOM 281 NE ARG A 16 -0.308 -12.956 -2.057 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.914 -12.467 -0.953 1.00 12.01 C ATOM 283 NH1 ARG A 16 -1.701 -11.373 -1.032 1.00 15.11 N ATOM 284 NH2 ARG A 16 -0.725 -13.076 0.202 1.00 73.11 N ATOM 0 H ARG A 16 1.672 -15.667 -4.968 1.00 3.03 H new ATOM 0 HA ARG A 16 2.272 -13.203 -6.211 1.00 14.35 H new ATOM 0 HB2 ARG A 16 1.938 -14.018 -3.296 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.145 -12.355 -3.811 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.134 -12.828 -5.434 1.00 72.42 H new ATOM 0 HG3 ARG A 16 -0.157 -14.239 -4.436 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -0.020 -11.358 -3.415 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -1.495 -12.271 -3.670 1.00 11.40 H new ATOM 0 HE ARG A 16 0.278 -13.785 -1.954 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -1.842 -10.910 -1.930 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -2.155 -11.010 -0.194 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -0.129 -13.902 0.251 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.175 -12.720 1.046 1.00 73.11 H new ATOM 297 N VAL A 17 4.525 -14.357 -4.069 1.00 23.21 N ATOM 298 CA VAL A 17 5.930 -14.300 -3.702 1.00 72.24 C ATOM 299 C VAL A 17 6.789 -14.472 -4.957 1.00 12.31 C ATOM 300 O VAL A 17 7.613 -13.614 -5.272 1.00 41.11 O ATOM 301 CB VAL A 17 6.231 -15.344 -2.624 1.00 61.12 C ATOM 302 CG1 VAL A 17 5.748 -16.730 -3.054 1.00 70.24 C ATOM 303 CG2 VAL A 17 7.722 -15.364 -2.282 1.00 4.10 C ATOM 0 H VAL A 17 3.957 -14.976 -3.490 1.00 23.21 H new ATOM 0 HA VAL A 17 6.174 -13.328 -3.273 1.00 72.24 H new ATOM 0 HB VAL A 17 5.685 -15.064 -1.723 1.00 61.12 H new ATOM 0 HG11 VAL A 17 5.974 -17.453 -2.271 1.00 70.24 H new ATOM 0 HG12 VAL A 17 4.672 -16.704 -3.224 1.00 70.24 H new ATOM 0 HG13 VAL A 17 6.254 -17.022 -3.974 1.00 70.24 H new ATOM 0 HG21 VAL A 17 7.909 -16.114 -1.514 1.00 4.10 H new ATOM 0 HG22 VAL A 17 8.297 -15.608 -3.175 1.00 4.10 H new ATOM 0 HG23 VAL A 17 8.024 -14.384 -1.913 1.00 4.10 H new ATOM 313 N GLU A 18 6.567 -15.586 -5.638 1.00 25.41 N ATOM 314 CA GLU A 18 7.310 -15.880 -6.852 1.00 5.04 C ATOM 315 C GLU A 18 7.466 -14.617 -7.699 1.00 14.13 C ATOM 316 O GLU A 18 8.439 -14.477 -8.439 1.00 42.13 O ATOM 317 CB GLU A 18 6.635 -16.997 -7.651 1.00 74.55 C ATOM 318 CG GLU A 18 7.150 -17.029 -9.091 1.00 43.23 C ATOM 319 CD GLU A 18 6.551 -18.207 -9.862 1.00 34.23 C ATOM 320 OE1 GLU A 18 6.936 -18.454 -11.015 1.00 42.32 O ATOM 321 OE2 GLU A 18 5.654 -18.879 -9.221 1.00 63.31 O ATOM 0 H GLU A 18 5.884 -16.296 -5.373 1.00 25.41 H new ATOM 0 HA GLU A 18 8.304 -16.229 -6.571 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.825 -17.957 -7.172 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.555 -16.848 -7.650 1.00 74.55 H new ATOM 0 HG2 GLU A 18 6.896 -16.095 -9.592 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.237 -17.105 -9.090 1.00 43.23 H new ATOM 329 N ASP A 19 6.494 -13.728 -7.563 1.00 32.14 N ATOM 330 CA ASP A 19 6.510 -12.479 -8.308 1.00 24.24 C ATOM 331 C ASP A 19 7.550 -11.540 -7.695 1.00 51.31 C ATOM 332 O ASP A 19 8.446 -11.062 -8.390 1.00 42.23 O ATOM 333 CB ASP A 19 5.150 -11.783 -8.246 1.00 51.12 C ATOM 334 CG ASP A 19 4.839 -10.865 -9.430 1.00 40.34 C ATOM 335 OD1 ASP A 19 4.145 -11.259 -10.379 1.00 21.13 O ATOM 336 OD2 ASP A 19 5.348 -9.683 -9.351 1.00 21.13 O ATOM 0 H ASP A 19 5.689 -13.847 -6.948 1.00 32.14 H new ATOM 0 HA ASP A 19 6.750 -12.708 -9.346 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.372 -12.544 -8.181 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.100 -11.197 -7.328 1.00 51.12 H new ATOM 342 N VAL A 20 7.397 -11.303 -6.401 1.00 71.23 N ATOM 343 CA VAL A 20 8.312 -10.428 -5.686 1.00 54.42 C ATOM 344 C VAL A 20 9.752 -10.852 -5.982 1.00 35.23 C ATOM 345 O VAL A 20 10.617 -10.008 -6.210 1.00 13.24 O ATOM 346 CB VAL A 20 7.982 -10.434 -4.192 1.00 4.51 C ATOM 347 CG1 VAL A 20 8.877 -11.420 -3.438 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.095 -9.027 -3.600 1.00 35.51 C ATOM 0 H VAL A 20 6.653 -11.701 -5.828 1.00 71.23 H new ATOM 0 HA VAL A 20 8.200 -9.398 -6.026 1.00 54.42 H new ATOM 0 HB VAL A 20 6.949 -10.763 -4.077 1.00 4.51 H new ATOM 0 HG11 VAL A 20 8.622 -11.405 -2.378 1.00 23.14 H new ATOM 0 HG12 VAL A 20 8.726 -12.424 -3.834 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.921 -11.134 -3.564 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.855 -9.059 -2.537 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.112 -8.657 -3.732 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.398 -8.361 -4.109 1.00 35.51 H new ATOM 358 N ARG A 21 9.964 -12.160 -5.971 1.00 73.35 N ATOM 359 CA ARG A 21 11.284 -12.706 -6.235 1.00 12.33 C ATOM 360 C ARG A 21 11.914 -12.011 -7.444 1.00 3.32 C ATOM 361 O ARG A 21 13.128 -11.819 -7.491 1.00 20.04 O ATOM 362 CB ARG A 21 11.214 -14.211 -6.500 1.00 32.23 C ATOM 363 CG ARG A 21 12.616 -14.811 -6.629 1.00 24.21 C ATOM 364 CD ARG A 21 12.552 -16.247 -7.153 1.00 65.53 C ATOM 365 NE ARG A 21 13.915 -16.731 -7.468 1.00 31.50 N ATOM 366 CZ ARG A 21 14.638 -16.318 -8.531 1.00 64.23 C ATOM 367 NH1 ARG A 21 14.135 -15.407 -9.390 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.846 -16.818 -8.716 1.00 2.31 N ATOM 0 H ARG A 21 9.244 -12.857 -5.783 1.00 73.35 H new ATOM 0 HA ARG A 21 11.898 -12.532 -5.351 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.678 -14.702 -5.688 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.649 -14.397 -7.414 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.216 -14.200 -7.304 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.113 -14.796 -5.659 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.090 -16.895 -6.408 1.00 65.53 H new ATOM 0 HD3 ARG A 21 11.926 -16.290 -8.045 1.00 65.53 H new ATOM 0 HE ARG A 21 14.334 -17.420 -6.843 1.00 31.50 H new ATOM 0 HH11 ARG A 21 13.202 -15.025 -9.239 1.00 64.10 H new ATOM 0 HH12 ARG A 21 14.688 -15.101 -10.190 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.219 -17.505 -8.061 1.00 2.31 H new ATOM 0 HH22 ARG A 21 16.406 -16.517 -9.514 1.00 2.31 H new ATOM 381 N LEU A 22 11.060 -11.652 -8.391 1.00 21.23 N ATOM 382 CA LEU A 22 11.518 -10.982 -9.596 1.00 44.20 C ATOM 383 C LEU A 22 12.106 -9.619 -9.225 1.00 44.01 C ATOM 384 O LEU A 22 13.305 -9.393 -9.380 1.00 64.33 O ATOM 385 CB LEU A 22 10.390 -10.905 -10.628 1.00 45.15 C ATOM 386 CG LEU A 22 9.857 -12.245 -11.141 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.443 -12.144 -12.609 1.00 14.41 C ATOM 388 CD2 LEU A 22 10.874 -13.365 -10.907 1.00 33.03 C ATOM 0 H LEU A 22 10.054 -11.812 -8.348 1.00 21.23 H new ATOM 0 HA LEU A 22 12.315 -11.555 -10.071 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.560 -10.351 -10.189 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.744 -10.327 -11.481 1.00 45.15 H new ATOM 0 HG LEU A 22 8.963 -12.498 -10.572 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.068 -13.110 -12.949 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.660 -11.393 -12.715 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.305 -11.857 -13.211 1.00 14.41 H new ATOM 0 HD21 LEU A 22 10.471 -14.306 -11.280 1.00 33.03 H new ATOM 0 HD22 LEU A 22 11.799 -13.132 -11.434 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.077 -13.455 -9.840 1.00 33.03 H new ATOM 400 N ILE A 23 11.234 -8.746 -8.743 1.00 72.43 N ATOM 401 CA ILE A 23 11.652 -7.411 -8.348 1.00 73.03 C ATOM 402 C ILE A 23 12.807 -7.517 -7.352 1.00 50.41 C ATOM 403 O ILE A 23 13.605 -6.590 -7.220 1.00 52.54 O ATOM 404 CB ILE A 23 10.459 -6.610 -7.824 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.984 -5.591 -8.862 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.787 -5.951 -6.483 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.443 -6.290 -10.110 1.00 24.34 C ATOM 0 H ILE A 23 10.240 -8.937 -8.617 1.00 72.43 H new ATOM 0 HA ILE A 23 12.024 -6.857 -9.210 1.00 73.03 H new ATOM 0 HB ILE A 23 9.634 -7.301 -7.650 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.208 -4.961 -8.429 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.810 -4.935 -9.138 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.922 -5.388 -6.133 1.00 72.53 H new ATOM 0 HG22 ILE A 23 11.040 -6.719 -5.752 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.634 -5.276 -6.607 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.112 -5.543 -10.831 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.229 -6.900 -10.555 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.602 -6.926 -9.835 1.00 24.34 H new ATOM 419 N ARG A 24 12.860 -8.655 -6.675 1.00 12.34 N ATOM 420 CA ARG A 24 13.905 -8.894 -5.694 1.00 45.23 C ATOM 421 C ARG A 24 15.254 -9.086 -6.391 1.00 1.14 C ATOM 422 O ARG A 24 16.295 -8.722 -5.846 1.00 74.04 O ATOM 423 CB ARG A 24 13.594 -10.130 -4.848 1.00 34.14 C ATOM 424 CG ARG A 24 12.584 -9.803 -3.747 1.00 13.13 C ATOM 425 CD ARG A 24 13.293 -9.475 -2.433 1.00 0.34 C ATOM 426 NE ARG A 24 14.484 -8.636 -2.695 1.00 52.12 N ATOM 427 CZ ARG A 24 15.006 -7.764 -1.806 1.00 54.35 C ATOM 428 NH1 ARG A 24 14.446 -7.609 -0.589 1.00 71.43 N ATOM 429 NH2 ARG A 24 16.073 -7.065 -2.147 1.00 1.01 N ATOM 0 H ARG A 24 12.196 -9.421 -6.787 1.00 12.34 H new ATOM 0 HA ARG A 24 13.951 -8.023 -5.040 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.199 -10.921 -5.485 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.513 -10.510 -4.402 1.00 34.14 H new ATOM 0 HG2 ARG A 24 11.968 -8.957 -4.053 1.00 13.13 H new ATOM 0 HG3 ARG A 24 11.913 -10.650 -3.601 1.00 13.13 H new ATOM 0 HD2 ARG A 24 12.610 -8.953 -1.763 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.590 -10.396 -1.931 1.00 0.34 H new ATOM 0 HE ARG A 24 14.939 -8.722 -3.604 1.00 52.12 H new ATOM 0 HH11 ARG A 24 13.622 -8.153 -0.334 1.00 71.43 H new ATOM 0 HH12 ARG A 24 14.847 -6.948 0.076 1.00 71.43 H new ATOM 0 HH21 ARG A 24 16.490 -7.188 -3.070 1.00 1.01 H new ATOM 0 HH22 ARG A 24 16.480 -6.402 -1.488 1.00 1.01 H new ATOM 442 N GLU A 25 15.191 -9.657 -7.584 1.00 75.54 N ATOM 443 CA GLU A 25 16.394 -9.902 -8.360 1.00 71.24 C ATOM 444 C GLU A 25 16.558 -8.829 -9.438 1.00 4.54 C ATOM 445 O GLU A 25 17.622 -8.708 -10.042 1.00 51.11 O ATOM 446 CB GLU A 25 16.372 -11.301 -8.980 1.00 21.24 C ATOM 447 CG GLU A 25 15.232 -11.434 -9.993 1.00 65.42 C ATOM 448 CD GLU A 25 15.578 -12.460 -11.074 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.986 -13.586 -10.753 1.00 42.04 O ATOM 450 OE2 GLU A 25 15.408 -12.052 -12.287 1.00 50.21 O ATOM 0 H GLU A 25 14.325 -9.957 -8.032 1.00 75.54 H new ATOM 0 HA GLU A 25 17.251 -9.851 -7.689 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.325 -11.500 -9.471 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.255 -12.049 -8.195 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.318 -11.734 -9.480 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.036 -10.466 -10.454 1.00 65.42 H new ATOM 458 N GLN A 26 15.488 -8.076 -9.646 1.00 42.22 N ATOM 459 CA GLN A 26 15.500 -7.016 -10.641 1.00 1.04 C ATOM 460 C GLN A 26 15.776 -5.667 -9.975 1.00 74.23 C ATOM 461 O GLN A 26 16.751 -4.995 -10.307 1.00 72.32 O ATOM 462 CB GLN A 26 14.185 -6.983 -11.422 1.00 4.32 C ATOM 463 CG GLN A 26 14.086 -8.172 -12.379 1.00 11.50 C ATOM 464 CD GLN A 26 13.066 -7.901 -13.487 1.00 70.32 C ATOM 465 OE1 GLN A 26 13.097 -6.884 -14.160 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.163 -8.866 -13.639 1.00 14.23 N ATOM 0 H GLN A 26 14.607 -8.179 -9.143 1.00 42.22 H new ATOM 0 HA GLN A 26 16.301 -7.219 -11.351 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.345 -7.000 -10.728 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.115 -6.052 -11.985 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.063 -8.371 -12.820 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.798 -9.066 -11.826 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.194 -9.692 -13.042 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.440 -8.780 -14.353 1.00 14.23 H new ATOM 475 N HIS A 27 14.900 -5.311 -9.046 1.00 51.23 N ATOM 476 CA HIS A 27 15.038 -4.054 -8.331 1.00 52.43 C ATOM 477 C HIS A 27 15.225 -4.331 -6.838 1.00 72.33 C ATOM 478 O HIS A 27 14.279 -4.222 -6.059 1.00 1.33 O ATOM 479 CB HIS A 27 13.851 -3.132 -8.618 1.00 21.24 C ATOM 480 CG HIS A 27 13.782 -2.646 -10.046 1.00 74.33 C ATOM 481 ND1 HIS A 27 14.149 -1.365 -10.420 1.00 31.43 N ATOM 482 CD2 HIS A 27 13.389 -3.282 -11.186 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.978 -1.246 -11.728 1.00 74.54 C ATOM 484 NE2 HIS A 27 13.506 -2.435 -12.202 1.00 22.24 N ATOM 0 H HIS A 27 14.093 -5.871 -8.772 1.00 51.23 H new ATOM 0 HA HIS A 27 15.926 -3.528 -8.682 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.928 -3.660 -8.380 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.905 -2.270 -7.954 1.00 21.24 H new ATOM 0 HD2 HIS A 27 13.041 -4.302 -11.252 1.00 21.41 H new ATOM 0 HE1 HIS A 27 14.177 -0.362 -12.316 1.00 74.54 H new ATOM 0 HE2 HIS A 27 13.280 -2.639 -13.175 1.00 22.24 H new ATOM 492 N PRO A 28 16.484 -4.693 -6.474 1.00 55.03 N ATOM 493 CA PRO A 28 16.808 -4.987 -5.088 1.00 41.14 C ATOM 494 C PRO A 28 16.902 -3.702 -4.263 1.00 41.12 C ATOM 495 O PRO A 28 16.719 -3.726 -3.046 1.00 74.04 O ATOM 496 CB PRO A 28 18.119 -5.754 -5.144 1.00 22.43 C ATOM 497 CG PRO A 28 18.715 -5.460 -6.511 1.00 40.31 C ATOM 498 CD PRO A 28 17.630 -4.833 -7.368 1.00 2.23 C ATOM 0 HA PRO A 28 16.038 -5.578 -4.592 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.792 -5.436 -4.348 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.952 -6.823 -5.012 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.566 -4.785 -6.419 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.083 -6.377 -6.972 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.945 -3.867 -7.761 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.389 -5.463 -8.225 1.00 2.23 H new ATOM 506 N THR A 29 17.187 -2.610 -4.957 1.00 63.23 N ATOM 507 CA THR A 29 17.307 -1.318 -4.303 1.00 35.40 C ATOM 508 C THR A 29 15.927 -0.684 -4.118 1.00 2.51 C ATOM 509 O THR A 29 15.821 0.477 -3.723 1.00 3.01 O ATOM 510 CB THR A 29 18.265 -0.457 -5.130 1.00 72.21 C ATOM 511 OG1 THR A 29 17.704 -0.474 -6.440 1.00 20.14 O ATOM 512 CG2 THR A 29 19.637 -1.112 -5.305 1.00 4.31 C ATOM 0 H THR A 29 17.338 -2.593 -5.966 1.00 63.23 H new ATOM 0 HA THR A 29 17.721 -1.419 -3.300 1.00 35.40 H new ATOM 0 HB THR A 29 18.384 0.515 -4.652 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.262 0.062 -7.042 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.278 -0.460 -5.899 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.090 -1.274 -4.327 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.521 -2.069 -5.814 1.00 4.31 H new ATOM 520 N LYS A 30 14.904 -1.473 -4.412 1.00 73.12 N ATOM 521 CA LYS A 30 13.536 -1.002 -4.283 1.00 13.34 C ATOM 522 C LYS A 30 12.743 -1.985 -3.416 1.00 74.25 C ATOM 523 O LYS A 30 13.129 -3.144 -3.275 1.00 52.32 O ATOM 524 CB LYS A 30 12.918 -0.764 -5.662 1.00 53.11 C ATOM 525 CG LYS A 30 13.816 0.132 -6.517 1.00 74.24 C ATOM 526 CD LYS A 30 13.239 1.544 -6.625 1.00 31.34 C ATOM 527 CE LYS A 30 13.226 2.022 -8.079 1.00 62.14 C ATOM 528 NZ LYS A 30 12.328 3.188 -8.234 1.00 64.44 N ATOM 0 H LYS A 30 14.995 -2.435 -4.739 1.00 73.12 H new ATOM 0 HA LYS A 30 13.512 -0.037 -3.778 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.765 -1.718 -6.166 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.937 -0.302 -5.550 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.814 0.176 -6.080 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.922 -0.298 -7.513 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.225 1.558 -6.225 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.831 2.230 -6.018 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.236 2.290 -8.389 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.897 1.213 -8.731 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.331 3.499 -9.226 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 11.362 2.921 -7.958 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 12.659 3.965 -7.627 1.00 64.44 H new ATOM 541 N ILE A 31 11.652 -1.483 -2.858 1.00 11.23 N ATOM 542 CA ILE A 31 10.802 -2.302 -2.009 1.00 34.53 C ATOM 543 C ILE A 31 9.510 -2.635 -2.757 1.00 61.33 C ATOM 544 O ILE A 31 8.767 -1.737 -3.151 1.00 14.43 O ATOM 545 CB ILE A 31 10.573 -1.616 -0.660 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.902 -1.309 0.032 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.643 -2.447 0.226 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.485 -2.566 0.682 1.00 43.44 C ATOM 0 H ILE A 31 11.336 -0.520 -2.976 1.00 11.23 H new ATOM 0 HA ILE A 31 11.291 -3.249 -1.780 1.00 34.53 H new ATOM 0 HB ILE A 31 10.078 -0.662 -0.841 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.610 -0.909 -0.694 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.753 -0.540 0.789 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.497 -1.938 1.178 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.681 -2.570 -0.271 1.00 3.42 H new ATOM 0 HG23 ILE A 31 10.088 -3.426 0.403 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.430 -2.320 1.167 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.785 -2.950 1.424 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.656 -3.325 -0.082 1.00 43.44 H new ATOM 560 N PRO A 32 9.274 -3.963 -2.934 1.00 41.13 N ATOM 561 CA PRO A 32 8.085 -4.426 -3.629 1.00 31.23 C ATOM 562 C PRO A 32 6.845 -4.289 -2.743 1.00 60.01 C ATOM 563 O PRO A 32 6.831 -4.770 -1.611 1.00 33.01 O ATOM 564 CB PRO A 32 8.388 -5.865 -4.010 1.00 4.31 C ATOM 565 CG PRO A 32 9.537 -6.301 -3.116 1.00 32.45 C ATOM 566 CD PRO A 32 10.132 -5.054 -2.481 1.00 10.22 C ATOM 0 HA PRO A 32 7.857 -3.834 -4.515 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.515 -6.500 -3.861 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.662 -5.941 -5.062 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.183 -6.989 -2.348 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.292 -6.832 -3.696 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.138 -5.128 -1.394 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.164 -4.903 -2.796 1.00 10.22 H new ATOM 574 N VAL A 33 5.835 -3.631 -3.291 1.00 12.13 N ATOM 575 CA VAL A 33 4.593 -3.425 -2.565 1.00 24.23 C ATOM 576 C VAL A 33 3.413 -3.785 -3.469 1.00 4.32 C ATOM 577 O VAL A 33 3.532 -3.753 -4.694 1.00 1.31 O ATOM 578 CB VAL A 33 4.527 -1.991 -2.038 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.886 -1.541 -1.498 1.00 5.21 C ATOM 580 CG2 VAL A 33 4.022 -1.033 -3.118 1.00 4.04 C ATOM 0 H VAL A 33 5.851 -3.233 -4.230 1.00 12.13 H new ATOM 0 HA VAL A 33 4.546 -4.079 -1.694 1.00 24.23 H new ATOM 0 HB VAL A 33 3.816 -1.971 -1.212 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.811 -0.518 -1.130 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.190 -2.198 -0.683 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.627 -1.586 -2.296 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.985 -0.020 -2.717 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.697 -1.060 -3.973 1.00 4.04 H new ATOM 0 HG23 VAL A 33 3.024 -1.335 -3.434 1.00 4.04 H new ATOM 590 N ILE A 34 2.301 -4.120 -2.832 1.00 53.34 N ATOM 591 CA ILE A 34 1.099 -4.485 -3.564 1.00 0.30 C ATOM 592 C ILE A 34 -0.086 -3.682 -3.024 1.00 63.12 C ATOM 593 O ILE A 34 -0.685 -4.055 -2.017 1.00 30.23 O ATOM 594 CB ILE A 34 0.886 -5.999 -3.522 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.918 -6.723 -4.389 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.547 -6.362 -3.913 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.393 -6.924 -5.813 1.00 42.24 C ATOM 0 H ILE A 34 2.206 -4.147 -1.817 1.00 53.34 H new ATOM 0 HA ILE A 34 1.203 -4.230 -4.619 1.00 0.30 H new ATOM 0 HB ILE A 34 1.035 -6.336 -2.496 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.843 -6.147 -4.416 1.00 35.11 H new ATOM 0 HG13 ILE A 34 2.157 -7.690 -3.946 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.671 -7.444 -3.875 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.244 -5.892 -3.219 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.749 -6.009 -4.924 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.146 -7.441 -6.409 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.481 -7.520 -5.784 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.178 -5.954 -6.262 1.00 42.24 H new ATOM 609 N ILE A 35 -0.388 -2.594 -3.718 1.00 13.32 N ATOM 610 CA ILE A 35 -1.490 -1.735 -3.321 1.00 43.02 C ATOM 611 C ILE A 35 -2.765 -2.183 -4.039 1.00 62.52 C ATOM 612 O ILE A 35 -2.754 -2.399 -5.250 1.00 31.22 O ATOM 613 CB ILE A 35 -1.136 -0.266 -3.554 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.058 0.154 -2.693 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.351 0.635 -3.327 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.787 1.348 -3.313 1.00 12.23 C ATOM 0 H ILE A 35 0.112 -2.288 -4.553 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.678 -1.827 -2.251 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.839 -0.148 -4.596 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.284 0.413 -1.691 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.748 -0.683 -2.588 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.071 1.674 -3.500 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.146 0.354 -4.018 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.703 0.520 -2.302 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.631 1.627 -2.682 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.149 1.078 -4.305 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.101 2.191 -3.394 1.00 12.23 H new ATOM 628 N GLU A 36 -3.830 -2.307 -3.264 1.00 14.05 N ATOM 629 CA GLU A 36 -5.110 -2.725 -3.812 1.00 10.15 C ATOM 630 C GLU A 36 -6.249 -1.936 -3.163 1.00 32.02 C ATOM 631 O GLU A 36 -6.226 -1.682 -1.959 1.00 33.43 O ATOM 632 CB GLU A 36 -5.316 -4.231 -3.636 1.00 14.40 C ATOM 633 CG GLU A 36 -4.923 -4.991 -4.904 1.00 64.41 C ATOM 634 CD GLU A 36 -5.974 -4.808 -6.002 1.00 73.35 C ATOM 635 OE1 GLU A 36 -5.626 -4.468 -7.142 1.00 11.42 O ATOM 636 OE2 GLU A 36 -7.190 -5.033 -5.635 1.00 2.44 O ATOM 0 H GLU A 36 -3.834 -2.126 -2.260 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.112 -2.514 -4.881 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -4.721 -4.587 -2.795 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.360 -4.433 -3.396 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -3.955 -4.637 -5.259 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -4.810 -6.051 -4.677 1.00 64.41 H new ATOM 644 N ARG A 37 -7.218 -1.570 -3.989 1.00 33.23 N ATOM 645 CA ARG A 37 -8.364 -0.814 -3.511 1.00 73.24 C ATOM 646 C ARG A 37 -9.038 -1.551 -2.351 1.00 64.52 C ATOM 647 O ARG A 37 -9.151 -2.776 -2.371 1.00 12.04 O ATOM 648 CB ARG A 37 -9.383 -0.593 -4.629 1.00 51.13 C ATOM 649 CG ARG A 37 -10.003 -1.920 -5.075 1.00 1.41 C ATOM 650 CD ARG A 37 -10.356 -1.887 -6.563 1.00 24.11 C ATOM 651 NE ARG A 37 -11.824 -1.963 -6.738 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.430 -2.386 -7.868 1.00 70.24 C ATOM 653 NH1 ARG A 37 -11.699 -2.774 -8.934 1.00 72.20 N ATOM 654 NH2 ARG A 37 -13.749 -2.414 -7.913 1.00 44.03 N ATOM 0 H ARG A 37 -7.233 -1.783 -4.986 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.003 0.156 -3.169 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.167 0.081 -4.284 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -8.898 -0.110 -5.478 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.306 -2.735 -4.881 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -10.900 -2.122 -4.489 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -9.975 -0.971 -7.015 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -9.877 -2.720 -7.077 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.414 -1.678 -5.956 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -10.680 -2.749 -8.890 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.165 -3.092 -9.784 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -14.293 -2.119 -7.102 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -14.224 -2.731 -8.758 1.00 44.03 H new ATOM 667 N TYR A 38 -9.470 -0.773 -1.370 1.00 2.33 N ATOM 668 CA TYR A 38 -10.131 -1.336 -0.204 1.00 20.32 C ATOM 669 C TYR A 38 -11.409 -2.077 -0.603 1.00 54.11 C ATOM 670 O TYR A 38 -12.145 -1.625 -1.478 1.00 13.01 O ATOM 671 CB TYR A 38 -10.502 -0.148 0.686 1.00 12.43 C ATOM 672 CG TYR A 38 -11.543 -0.475 1.758 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.864 -0.659 1.402 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.163 -0.585 3.079 1.00 42.23 C ATOM 675 CE1 TYR A 38 -13.845 -0.966 2.411 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.143 -0.892 4.088 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.436 -1.068 3.704 1.00 23.24 C ATOM 678 OH TYR A 38 -14.362 -1.359 4.657 1.00 23.44 O ATOM 0 H TYR A 38 -9.376 0.243 -1.358 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.478 -2.048 0.300 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.600 0.225 1.172 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.882 0.658 0.059 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.162 -0.573 0.367 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.129 -0.441 3.357 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -14.882 -1.112 2.147 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -11.858 -0.981 5.126 1.00 42.11 H new ATOM 0 HH TYR A 38 -13.927 -1.402 5.534 1.00 23.44 H new ATOM 688 N LYS A 39 -11.632 -3.204 0.058 1.00 73.55 N ATOM 689 CA LYS A 39 -12.807 -4.013 -0.218 1.00 43.43 C ATOM 690 C LYS A 39 -14.064 -3.167 -0.001 1.00 21.11 C ATOM 691 O LYS A 39 -14.551 -3.050 1.123 1.00 3.42 O ATOM 692 CB LYS A 39 -12.780 -5.297 0.612 1.00 73.41 C ATOM 693 CG LYS A 39 -12.759 -4.984 2.109 1.00 61.13 C ATOM 694 CD LYS A 39 -12.391 -6.226 2.924 1.00 10.22 C ATOM 695 CE LYS A 39 -13.572 -7.194 3.012 1.00 52.01 C ATOM 696 NZ LYS A 39 -13.091 -8.592 3.083 1.00 32.44 N ATOM 0 H LYS A 39 -11.019 -3.576 0.784 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.813 -4.334 -1.260 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.654 -5.904 0.376 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -11.902 -5.886 0.348 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -12.041 -4.188 2.308 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -13.737 -4.616 2.421 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -11.539 -6.727 2.465 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -12.084 -5.929 3.927 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -14.173 -6.965 3.892 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -14.218 -7.069 2.143 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -13.905 -9.237 3.142 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -12.536 -8.812 2.231 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -12.493 -8.711 3.926 1.00 32.44 H new ATOM 709 N GLY A 40 -14.553 -2.600 -1.093 1.00 74.45 N ATOM 710 CA GLY A 40 -15.744 -1.769 -1.036 1.00 3.24 C ATOM 711 C GLY A 40 -15.410 -0.309 -1.351 1.00 12.21 C ATOM 712 O GLY A 40 -16.187 0.591 -1.036 1.00 40.33 O ATOM 0 H GLY A 40 -14.146 -2.699 -2.023 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.484 -2.138 -1.747 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.192 -1.837 -0.045 1.00 3.24 H new ATOM 716 N GLU A 41 -14.253 -0.121 -1.968 1.00 33.32 N ATOM 717 CA GLU A 41 -13.807 1.214 -2.329 1.00 32.55 C ATOM 718 C GLU A 41 -14.380 1.616 -3.690 1.00 20.11 C ATOM 719 O GLU A 41 -14.066 0.998 -4.706 1.00 31.05 O ATOM 720 CB GLU A 41 -12.279 1.300 -2.331 1.00 62.14 C ATOM 721 CG GLU A 41 -11.807 2.685 -1.886 1.00 52.41 C ATOM 722 CD GLU A 41 -12.432 3.782 -2.750 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.343 3.724 -3.986 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.029 4.719 -2.095 1.00 34.32 O ATOM 0 H GLU A 41 -13.611 -0.870 -2.227 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.177 1.914 -1.580 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -11.868 0.541 -1.666 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -11.901 1.087 -3.331 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.072 2.845 -0.841 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -10.720 2.741 -1.951 1.00 52.41 H new ATOM 732 N LYS A 42 -15.209 2.649 -3.666 1.00 64.40 N ATOM 733 CA LYS A 42 -15.829 3.141 -4.885 1.00 2.11 C ATOM 734 C LYS A 42 -15.408 4.593 -5.115 1.00 14.01 C ATOM 735 O LYS A 42 -15.138 4.993 -6.247 1.00 33.23 O ATOM 736 CB LYS A 42 -17.344 2.938 -4.834 1.00 13.31 C ATOM 737 CG LYS A 42 -17.985 3.858 -3.792 1.00 45.50 C ATOM 738 CD LYS A 42 -18.405 5.189 -4.419 1.00 43.25 C ATOM 739 CE LYS A 42 -19.623 5.772 -3.700 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.314 6.023 -2.275 1.00 23.20 N ATOM 0 H LYS A 42 -15.466 3.159 -2.821 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.484 2.570 -5.747 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.775 3.138 -5.815 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.568 1.899 -4.594 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -18.855 3.368 -3.355 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.281 4.041 -2.981 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.577 5.896 -4.370 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -18.637 5.041 -5.474 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.926 6.702 -4.181 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -20.464 5.083 -3.780 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -20.199 6.173 -1.749 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.810 5.204 -1.879 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -18.715 6.870 -2.193 1.00 23.20 H new ATOM 753 N GLN A 43 -15.366 5.344 -4.024 1.00 63.45 N ATOM 754 CA GLN A 43 -14.984 6.744 -4.093 1.00 43.21 C ATOM 755 C GLN A 43 -13.746 6.913 -4.975 1.00 65.15 C ATOM 756 O GLN A 43 -13.862 7.204 -6.165 1.00 23.23 O ATOM 757 CB GLN A 43 -14.744 7.317 -2.694 1.00 65.43 C ATOM 758 CG GLN A 43 -16.050 7.391 -1.900 1.00 61.32 C ATOM 759 CD GLN A 43 -15.774 7.578 -0.407 1.00 0.41 C ATOM 760 OE1 GLN A 43 -15.877 8.664 0.137 1.00 34.35 O ATOM 761 NE2 GLN A 43 -15.417 6.462 0.220 1.00 61.50 N ATOM 0 H GLN A 43 -15.590 5.009 -3.087 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.805 7.303 -4.542 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.025 6.695 -2.161 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.307 8.312 -2.775 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.657 8.218 -2.268 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.626 6.479 -2.055 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -15.350 5.585 -0.297 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -15.210 6.482 1.218 1.00 61.50 H new ATOM 770 N LEU A 44 -12.589 6.724 -4.358 1.00 70.13 N ATOM 771 CA LEU A 44 -11.330 6.852 -5.073 1.00 74.32 C ATOM 772 C LEU A 44 -11.341 5.922 -6.288 1.00 11.20 C ATOM 773 O LEU A 44 -11.999 4.884 -6.273 1.00 43.35 O ATOM 774 CB LEU A 44 -10.151 6.614 -4.127 1.00 23.41 C ATOM 775 CG LEU A 44 -9.828 7.752 -3.157 1.00 52.12 C ATOM 776 CD1 LEU A 44 -9.290 7.207 -1.832 1.00 50.33 C ATOM 777 CD2 LEU A 44 -8.869 8.760 -3.793 1.00 10.25 C ATOM 0 H LEU A 44 -12.497 6.483 -3.371 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.207 7.867 -5.450 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.353 5.714 -3.546 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.264 6.413 -4.728 1.00 23.41 H new ATOM 0 HG LEU A 44 -10.753 8.284 -2.935 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -9.068 8.037 -1.161 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.038 6.560 -1.374 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -8.380 6.636 -2.016 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -8.656 9.558 -3.082 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -7.940 8.258 -4.063 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.326 9.183 -4.687 1.00 10.25 H new ATOM 789 N PRO A 45 -10.586 6.341 -7.338 1.00 31.11 N ATOM 790 CA PRO A 45 -10.503 5.558 -8.559 1.00 72.02 C ATOM 791 C PRO A 45 -9.612 4.329 -8.364 1.00 4.31 C ATOM 792 O PRO A 45 -8.869 4.247 -7.388 1.00 31.03 O ATOM 793 CB PRO A 45 -9.967 6.519 -9.607 1.00 14.10 C ATOM 794 CG PRO A 45 -9.333 7.666 -8.837 1.00 24.31 C ATOM 795 CD PRO A 45 -9.794 7.567 -7.391 1.00 12.34 C ATOM 0 HA PRO A 45 -11.468 5.153 -8.865 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.235 6.028 -10.249 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.768 6.878 -10.253 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.246 7.611 -8.896 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.627 8.623 -9.267 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.946 7.521 -6.707 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.388 8.435 -7.104 1.00 12.34 H new ATOM 803 N VAL A 46 -9.717 3.406 -9.308 1.00 55.41 N ATOM 804 CA VAL A 46 -8.930 2.185 -9.251 1.00 62.40 C ATOM 805 C VAL A 46 -7.499 2.485 -9.706 1.00 24.11 C ATOM 806 O VAL A 46 -7.281 2.911 -10.838 1.00 23.43 O ATOM 807 CB VAL A 46 -9.603 1.090 -10.079 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.782 -0.201 -10.053 1.00 21.34 C ATOM 809 CG2 VAL A 46 -11.034 0.839 -9.597 1.00 2.32 C ATOM 0 H VAL A 46 -10.335 3.478 -10.117 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.875 1.813 -8.228 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.653 1.435 -11.112 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -9.283 -0.963 -10.650 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.791 -0.011 -10.466 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.686 -0.550 -9.025 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.490 0.056 -10.203 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -11.017 0.526 -8.553 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.616 1.756 -9.692 1.00 2.32 H new ATOM 819 N LEU A 47 -6.563 2.249 -8.799 1.00 70.21 N ATOM 820 CA LEU A 47 -5.160 2.488 -9.092 1.00 52.54 C ATOM 821 C LEU A 47 -4.856 2.021 -10.517 1.00 0.41 C ATOM 822 O LEU A 47 -5.564 1.177 -11.063 1.00 44.05 O ATOM 823 CB LEU A 47 -4.272 1.839 -8.028 1.00 21.34 C ATOM 824 CG LEU A 47 -3.198 2.737 -7.412 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.272 3.303 -8.490 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.829 3.842 -6.562 1.00 2.31 C ATOM 0 H LEU A 47 -6.748 1.895 -7.861 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.937 3.554 -9.051 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.911 1.469 -7.227 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.782 0.972 -8.472 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.585 2.129 -6.747 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.518 3.938 -8.025 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.782 2.483 -9.016 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.855 3.892 -9.198 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.044 4.466 -6.136 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.480 4.454 -7.186 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.413 3.394 -5.758 1.00 2.31 H new ATOM 838 N ASP A 48 -3.799 2.589 -11.078 1.00 34.23 N ATOM 839 CA ASP A 48 -3.390 2.242 -12.428 1.00 65.12 C ATOM 840 C ASP A 48 -2.790 0.835 -12.429 1.00 61.25 C ATOM 841 O ASP A 48 -3.004 0.065 -13.364 1.00 1.55 O ATOM 842 CB ASP A 48 -2.326 3.210 -12.949 1.00 32.20 C ATOM 843 CG ASP A 48 -2.837 4.613 -13.284 1.00 54.14 C ATOM 844 OD1 ASP A 48 -4.031 4.911 -13.133 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.939 5.430 -13.722 1.00 33.14 O ATOM 0 H ASP A 48 -3.213 3.288 -10.622 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.270 2.295 -13.070 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.537 3.296 -12.202 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.873 2.782 -13.843 1.00 32.20 H new ATOM 851 N LYS A 49 -2.050 0.541 -11.370 1.00 34.30 N ATOM 852 CA LYS A 49 -1.417 -0.760 -11.236 1.00 13.11 C ATOM 853 C LYS A 49 -1.730 -1.334 -9.854 1.00 55.44 C ATOM 854 O LYS A 49 -2.464 -0.727 -9.076 1.00 64.03 O ATOM 855 CB LYS A 49 0.079 -0.661 -11.537 1.00 53.23 C ATOM 856 CG LYS A 49 0.320 -0.219 -12.983 1.00 52.12 C ATOM 857 CD LYS A 49 0.643 1.275 -13.053 1.00 15.23 C ATOM 858 CE LYS A 49 1.779 1.636 -12.093 1.00 51.44 C ATOM 859 NZ LYS A 49 1.294 2.554 -11.038 1.00 4.25 N ATOM 0 H LYS A 49 -1.875 1.182 -10.596 1.00 34.30 H new ATOM 0 HA LYS A 49 -1.820 -1.458 -11.970 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.545 0.049 -10.854 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.553 -1.627 -11.365 1.00 53.23 H new ATOM 0 HG2 LYS A 49 1.142 -0.793 -13.410 1.00 52.12 H new ATOM 0 HG3 LYS A 49 -0.564 -0.432 -13.584 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.924 1.543 -14.072 1.00 15.23 H new ATOM 0 HD3 LYS A 49 -0.246 1.855 -12.805 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.181 0.730 -11.639 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.594 2.105 -12.645 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 1.915 3.387 -10.991 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.324 2.857 -11.260 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 1.302 2.064 -10.121 1.00 4.25 H new ATOM 872 N THR A 50 -1.156 -2.499 -9.588 1.00 62.40 N ATOM 873 CA THR A 50 -1.364 -3.163 -8.313 1.00 12.42 C ATOM 874 C THR A 50 -0.062 -3.197 -7.510 1.00 13.32 C ATOM 875 O THR A 50 -0.082 -3.114 -6.283 1.00 13.53 O ATOM 876 CB THR A 50 -1.943 -4.552 -8.591 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.066 -4.298 -9.430 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.549 -5.195 -7.342 1.00 4.14 C ATOM 0 H THR A 50 -0.547 -3.000 -10.235 1.00 62.40 H new ATOM 0 HA THR A 50 -2.076 -2.616 -7.695 1.00 12.42 H new ATOM 0 HB THR A 50 -1.160 -5.198 -8.988 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.500 -5.146 -9.661 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.945 -6.178 -7.595 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.780 -5.299 -6.577 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.354 -4.566 -6.963 1.00 4.14 H new ATOM 886 N LYS A 51 1.040 -3.319 -8.236 1.00 63.11 N ATOM 887 CA LYS A 51 2.349 -3.365 -7.608 1.00 2.24 C ATOM 888 C LYS A 51 3.142 -2.117 -8.000 1.00 2.53 C ATOM 889 O LYS A 51 2.986 -1.599 -9.105 1.00 22.21 O ATOM 890 CB LYS A 51 3.060 -4.677 -7.946 1.00 62.34 C ATOM 891 CG LYS A 51 2.568 -5.238 -9.282 1.00 12.21 C ATOM 892 CD LYS A 51 3.322 -6.517 -9.651 1.00 14.34 C ATOM 893 CE LYS A 51 3.004 -6.949 -11.084 1.00 70.11 C ATOM 894 NZ LYS A 51 1.637 -6.527 -11.460 1.00 74.50 N ATOM 0 H LYS A 51 1.053 -3.387 -9.254 1.00 63.11 H new ATOM 0 HA LYS A 51 2.251 -3.353 -6.522 1.00 2.24 H new ATOM 0 HB2 LYS A 51 4.136 -4.510 -7.991 1.00 62.34 H new ATOM 0 HB3 LYS A 51 2.883 -5.405 -7.154 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.500 -5.446 -9.222 1.00 12.21 H new ATOM 0 HG3 LYS A 51 2.704 -4.493 -10.066 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.395 -6.354 -9.547 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.052 -7.315 -8.959 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.728 -6.512 -11.771 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.094 -8.032 -11.172 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.373 -6.969 -12.364 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 0.967 -6.822 -10.721 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.608 -5.492 -11.560 1.00 74.50 H new ATOM 907 N PHE A 52 3.976 -1.670 -7.073 1.00 55.52 N ATOM 908 CA PHE A 52 4.794 -0.492 -7.308 1.00 12.53 C ATOM 909 C PHE A 52 6.201 -0.679 -6.735 1.00 23.41 C ATOM 910 O PHE A 52 6.376 -1.337 -5.711 1.00 20.35 O ATOM 911 CB PHE A 52 4.115 0.676 -6.589 1.00 64.54 C ATOM 912 CG PHE A 52 2.639 0.854 -6.951 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.731 -0.094 -6.594 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.234 1.962 -7.629 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.362 0.072 -6.930 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.865 2.127 -7.965 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.043 1.179 -7.609 1.00 13.42 C ATOM 0 H PHE A 52 4.103 -2.102 -6.158 1.00 55.52 H new ATOM 0 HA PHE A 52 4.887 -0.311 -8.379 1.00 12.53 H new ATOM 0 HB2 PHE A 52 4.199 0.526 -5.513 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.650 1.596 -6.825 1.00 64.54 H new ATOM 0 HD1 PHE A 52 2.052 -0.973 -6.055 1.00 50.44 H new ATOM 0 HD2 PHE A 52 2.954 2.716 -7.911 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.358 -0.681 -6.646 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.544 3.006 -8.504 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.085 1.305 -7.865 1.00 13.42 H new ATOM 927 N LEU A 53 7.168 -0.087 -7.422 1.00 0.05 N ATOM 928 CA LEU A 53 8.554 -0.180 -6.994 1.00 15.10 C ATOM 929 C LEU A 53 8.949 1.113 -6.278 1.00 53.33 C ATOM 930 O LEU A 53 9.194 2.133 -6.920 1.00 23.21 O ATOM 931 CB LEU A 53 9.458 -0.528 -8.179 1.00 22.22 C ATOM 932 CG LEU A 53 9.484 -2.001 -8.592 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.409 -2.218 -9.791 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.859 -2.896 -7.409 1.00 70.04 C ATOM 0 H LEU A 53 7.019 0.458 -8.271 1.00 0.05 H new ATOM 0 HA LEU A 53 8.679 -0.992 -6.278 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.142 0.064 -9.038 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.475 -0.221 -7.937 1.00 22.22 H new ATOM 0 HG LEU A 53 8.479 -2.286 -8.905 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.409 -3.273 -10.064 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.056 -1.625 -10.635 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.422 -1.911 -9.530 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.870 -3.938 -7.730 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.847 -2.619 -7.042 1.00 70.04 H new ATOM 0 HD23 LEU A 53 9.127 -2.770 -6.611 1.00 70.04 H new ATOM 946 N VAL A 54 8.999 1.027 -4.956 1.00 12.25 N ATOM 947 CA VAL A 54 9.361 2.178 -4.146 1.00 54.11 C ATOM 948 C VAL A 54 10.870 2.161 -3.889 1.00 53.14 C ATOM 949 O VAL A 54 11.459 1.099 -3.696 1.00 2.34 O ATOM 950 CB VAL A 54 8.536 2.191 -2.858 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.450 0.791 -2.247 1.00 52.41 C ATOM 952 CG2 VAL A 54 9.105 3.194 -1.852 1.00 33.12 C ATOM 0 H VAL A 54 8.795 0.179 -4.427 1.00 12.25 H new ATOM 0 HA VAL A 54 9.131 3.104 -4.673 1.00 54.11 H new ATOM 0 HB VAL A 54 7.525 2.508 -3.112 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.858 0.829 -1.333 1.00 52.41 H new ATOM 0 HG12 VAL A 54 7.978 0.112 -2.957 1.00 52.41 H new ATOM 0 HG13 VAL A 54 9.453 0.433 -2.015 1.00 52.41 H new ATOM 0 HG21 VAL A 54 8.500 3.183 -0.945 1.00 33.12 H new ATOM 0 HG22 VAL A 54 10.131 2.921 -1.607 1.00 33.12 H new ATOM 0 HG23 VAL A 54 9.090 4.194 -2.286 1.00 33.12 H new ATOM 962 N PRO A 55 11.467 3.384 -3.895 1.00 45.33 N ATOM 963 CA PRO A 55 12.895 3.519 -3.665 1.00 0.21 C ATOM 964 C PRO A 55 13.234 3.321 -2.186 1.00 50.22 C ATOM 965 O PRO A 55 12.699 4.019 -1.324 1.00 54.10 O ATOM 966 CB PRO A 55 13.245 4.908 -4.174 1.00 72.21 C ATOM 967 CG PRO A 55 11.933 5.671 -4.240 1.00 64.33 C ATOM 968 CD PRO A 55 10.801 4.663 -4.119 1.00 22.13 C ATOM 0 HA PRO A 55 13.479 2.759 -4.185 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.951 5.402 -3.506 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.717 4.857 -5.155 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.878 6.405 -3.436 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.857 6.219 -5.179 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.135 4.913 -3.293 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.193 4.640 -5.023 1.00 22.13 H new ATOM 976 N ASP A 56 14.121 2.369 -1.936 1.00 15.23 N ATOM 977 CA ASP A 56 14.537 2.071 -0.576 1.00 24.22 C ATOM 978 C ASP A 56 15.536 3.131 -0.110 1.00 33.22 C ATOM 979 O ASP A 56 16.654 2.804 0.285 1.00 24.04 O ATOM 980 CB ASP A 56 15.224 0.706 -0.497 1.00 14.44 C ATOM 981 CG ASP A 56 16.605 0.639 -1.150 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.363 -0.320 -0.943 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.897 1.638 -1.912 1.00 53.21 O ATOM 0 H ASP A 56 14.563 1.794 -2.653 1.00 15.23 H new ATOM 0 HA ASP A 56 13.648 2.064 0.055 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.320 0.425 0.552 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.580 -0.036 -0.968 1.00 14.44 H new ATOM 989 N HIS A 57 15.098 4.380 -0.171 1.00 42.54 N ATOM 990 CA HIS A 57 15.940 5.491 0.239 1.00 33.12 C ATOM 991 C HIS A 57 15.068 6.706 0.559 1.00 34.15 C ATOM 992 O HIS A 57 15.502 7.846 0.402 1.00 74.42 O ATOM 993 CB HIS A 57 17.004 5.786 -0.819 1.00 42.14 C ATOM 994 CG HIS A 57 16.441 6.232 -2.148 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.651 7.361 -2.287 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.560 5.690 -3.394 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.317 7.482 -3.563 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.881 6.445 -4.247 1.00 2.34 N ATOM 0 H HIS A 57 14.170 4.647 -0.499 1.00 42.54 H new ATOM 0 HA HIS A 57 16.480 5.226 1.148 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.673 6.559 -0.441 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.607 4.891 -0.973 1.00 42.14 H new ATOM 0 HD1 HIS A 57 15.374 7.992 -1.535 1.00 2.30 H new ATOM 0 HD2 HIS A 57 17.114 4.797 -3.644 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.705 8.264 -3.988 1.00 52.24 H new ATOM 1006 N VAL A 58 13.853 6.421 1.003 1.00 51.30 N ATOM 1007 CA VAL A 58 12.915 7.476 1.347 1.00 21.42 C ATOM 1008 C VAL A 58 12.050 7.021 2.525 1.00 52.34 C ATOM 1009 O VAL A 58 12.379 6.049 3.201 1.00 3.12 O ATOM 1010 CB VAL A 58 12.092 7.866 0.117 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.999 8.325 -1.026 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.190 6.713 -0.327 1.00 52.14 C ATOM 0 H VAL A 58 13.496 5.474 1.133 1.00 51.30 H new ATOM 0 HA VAL A 58 13.448 8.373 1.663 1.00 21.42 H new ATOM 0 HB VAL A 58 11.452 8.704 0.394 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.389 8.596 -1.888 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.579 9.190 -0.705 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.676 7.516 -1.301 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.616 7.016 -1.203 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.803 5.847 -0.577 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.507 6.453 0.482 1.00 52.14 H new ATOM 1022 N ASN A 59 10.961 7.746 2.733 1.00 3.10 N ATOM 1023 CA ASN A 59 10.047 7.430 3.817 1.00 53.34 C ATOM 1024 C ASN A 59 8.711 6.967 3.233 1.00 32.55 C ATOM 1025 O ASN A 59 8.364 7.325 2.108 1.00 53.32 O ATOM 1026 CB ASN A 59 9.782 8.658 4.690 1.00 31.55 C ATOM 1027 CG ASN A 59 10.193 9.943 3.969 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.205 10.523 3.293 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.330 10.380 4.023 1.00 14.31 N flip ATOM 0 H ASN A 59 10.691 8.552 2.169 1.00 3.10 H new ATOM 0 HA ASN A 59 10.502 6.648 4.425 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.724 8.704 4.947 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.334 8.569 5.626 1.00 31.55 H new ATOM 0 HD21 ASN A 59 12.042 9.885 4.561 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.570 11.241 3.531 1.00 14.31 H new ATOM 1036 N MET A 60 7.998 6.178 4.023 1.00 53.42 N ATOM 1037 CA MET A 60 6.707 5.663 3.598 1.00 63.50 C ATOM 1038 C MET A 60 5.790 6.796 3.133 1.00 72.03 C ATOM 1039 O MET A 60 4.880 6.576 2.336 1.00 33.53 O ATOM 1040 CB MET A 60 6.048 4.917 4.759 1.00 54.13 C ATOM 1041 CG MET A 60 5.311 5.887 5.687 1.00 71.53 C ATOM 1042 SD MET A 60 3.647 6.149 5.097 1.00 50.24 S ATOM 1043 CE MET A 60 3.070 4.461 5.037 1.00 24.12 C ATOM 0 H MET A 60 8.289 5.883 4.955 1.00 53.42 H new ATOM 0 HA MET A 60 6.866 4.983 2.761 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.348 4.177 4.370 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.806 4.373 5.323 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.288 5.487 6.701 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.844 6.837 5.731 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.981 4.446 5.092 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.393 3.999 4.104 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.483 3.905 5.879 1.00 24.12 H new ATOM 1053 N SER A 61 6.061 7.984 3.652 1.00 31.15 N ATOM 1054 CA SER A 61 5.273 9.153 3.300 1.00 60.52 C ATOM 1055 C SER A 61 5.338 9.393 1.790 1.00 5.42 C ATOM 1056 O SER A 61 4.307 9.538 1.136 1.00 42.35 O ATOM 1057 CB SER A 61 5.756 10.392 4.056 1.00 24.14 C ATOM 1058 OG SER A 61 5.833 11.537 3.210 1.00 33.42 O ATOM 0 H SER A 61 6.816 8.163 4.314 1.00 31.15 H new ATOM 0 HA SER A 61 4.238 8.967 3.588 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.078 10.598 4.885 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.737 10.194 4.488 1.00 24.14 H new ATOM 0 HG SER A 61 6.762 11.676 2.931 1.00 33.42 H new ATOM 1064 N GLU A 62 6.561 9.429 1.281 1.00 43.34 N ATOM 1065 CA GLU A 62 6.774 9.648 -0.139 1.00 62.30 C ATOM 1066 C GLU A 62 5.768 8.839 -0.959 1.00 2.22 C ATOM 1067 O GLU A 62 5.016 9.399 -1.755 1.00 1.22 O ATOM 1068 CB GLU A 62 8.210 9.303 -0.538 1.00 23.32 C ATOM 1069 CG GLU A 62 9.157 10.468 -0.242 1.00 33.21 C ATOM 1070 CD GLU A 62 8.705 11.739 -0.964 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.971 12.852 -0.486 1.00 65.32 O ATOM 1072 OE2 GLU A 62 8.056 11.541 -2.061 1.00 22.24 O ATOM 0 H GLU A 62 7.414 9.310 1.827 1.00 43.34 H new ATOM 0 HA GLU A 62 6.617 10.706 -0.350 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.539 8.416 0.004 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.248 9.060 -1.600 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.192 10.649 0.832 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.168 10.208 -0.555 1.00 33.21 H new ATOM 1080 N LEU A 63 5.785 7.532 -0.736 1.00 75.35 N ATOM 1081 CA LEU A 63 4.884 6.640 -1.443 1.00 71.31 C ATOM 1082 C LEU A 63 3.507 7.297 -1.556 1.00 34.30 C ATOM 1083 O LEU A 63 2.911 7.318 -2.632 1.00 74.31 O ATOM 1084 CB LEU A 63 4.856 5.265 -0.774 1.00 53.52 C ATOM 1085 CG LEU A 63 3.554 4.475 -0.917 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.239 4.197 -2.388 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.597 3.190 -0.087 1.00 23.34 C ATOM 0 H LEU A 63 6.410 7.070 -0.075 1.00 75.35 H new ATOM 0 HA LEU A 63 5.240 6.467 -2.459 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.668 4.666 -1.186 1.00 53.52 H new ATOM 0 HB3 LEU A 63 5.064 5.396 0.288 1.00 53.52 H new ATOM 0 HG LEU A 63 2.741 5.085 -0.524 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.308 3.634 -2.461 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.135 5.141 -2.923 1.00 21.14 H new ATOM 0 HD13 LEU A 63 4.049 3.617 -2.830 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.659 2.648 -0.207 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.423 2.565 -0.426 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.739 3.440 0.964 1.00 23.34 H new ATOM 1099 N ILE A 64 3.042 7.818 -0.431 1.00 23.04 N ATOM 1100 CA ILE A 64 1.746 8.474 -0.390 1.00 61.52 C ATOM 1101 C ILE A 64 1.669 9.513 -1.511 1.00 62.30 C ATOM 1102 O ILE A 64 0.834 9.403 -2.408 1.00 14.00 O ATOM 1103 CB ILE A 64 1.482 9.052 1.003 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.823 8.034 2.092 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.043 9.559 1.123 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.320 6.639 1.716 1.00 54.44 C ATOM 0 H ILE A 64 3.539 7.799 0.459 1.00 23.04 H new ATOM 0 HA ILE A 64 0.948 7.753 -0.568 1.00 61.52 H new ATOM 0 HB ILE A 64 2.139 9.910 1.147 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.902 8.007 2.244 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.376 8.343 3.037 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.118 9.964 2.122 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.131 10.340 0.382 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.649 8.735 0.950 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.576 5.934 2.507 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.238 6.665 1.589 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.788 6.323 0.784 1.00 54.44 H new ATOM 1118 N LYS A 65 2.551 10.498 -1.424 1.00 65.21 N ATOM 1119 CA LYS A 65 2.593 11.554 -2.419 1.00 4.50 C ATOM 1120 C LYS A 65 2.697 10.932 -3.814 1.00 41.42 C ATOM 1121 O LYS A 65 2.178 11.484 -4.783 1.00 64.31 O ATOM 1122 CB LYS A 65 3.718 12.544 -2.103 1.00 50.41 C ATOM 1123 CG LYS A 65 3.537 13.152 -0.711 1.00 31.50 C ATOM 1124 CD LYS A 65 4.724 14.045 -0.344 1.00 14.42 C ATOM 1125 CE LYS A 65 5.644 13.347 0.659 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.476 13.929 2.009 1.00 21.21 N ATOM 0 H LYS A 65 3.242 10.586 -0.679 1.00 65.21 H new ATOM 0 HA LYS A 65 1.671 12.135 -2.396 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.681 12.036 -2.160 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.731 13.337 -2.851 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.616 13.735 -0.682 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.434 12.356 0.027 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.285 14.298 -1.243 1.00 14.42 H new ATOM 0 HD3 LYS A 65 4.362 14.982 0.080 1.00 14.42 H new ATOM 0 HE2 LYS A 65 5.420 12.281 0.686 1.00 43.24 H new ATOM 0 HE3 LYS A 65 6.682 13.447 0.340 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.598 13.185 2.725 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 6.187 14.673 2.157 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 4.524 14.339 2.094 1.00 21.21 H new ATOM 1139 N ILE A 66 3.369 9.792 -3.870 1.00 54.04 N ATOM 1140 CA ILE A 66 3.546 9.088 -5.129 1.00 32.11 C ATOM 1141 C ILE A 66 2.221 8.439 -5.536 1.00 63.23 C ATOM 1142 O ILE A 66 1.966 8.232 -6.720 1.00 3.21 O ATOM 1143 CB ILE A 66 4.711 8.101 -5.031 1.00 32.41 C ATOM 1144 CG1 ILE A 66 6.020 8.828 -4.718 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.815 7.251 -6.299 1.00 33.32 C ATOM 1146 CD1 ILE A 66 7.228 7.979 -5.123 1.00 42.45 C ATOM 0 H ILE A 66 3.798 9.338 -3.064 1.00 54.04 H new ATOM 0 HA ILE A 66 3.816 9.786 -5.922 1.00 32.11 H new ATOM 0 HB ILE A 66 4.516 7.421 -4.202 1.00 32.41 H new ATOM 0 HG12 ILE A 66 6.047 9.781 -5.247 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.070 9.053 -3.653 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.651 6.557 -6.205 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.891 6.689 -6.437 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.977 7.900 -7.160 1.00 33.32 H new ATOM 0 HD11 ILE A 66 8.146 8.518 -4.890 1.00 42.45 H new ATOM 0 HD12 ILE A 66 7.211 7.037 -4.574 1.00 42.45 H new ATOM 0 HD13 ILE A 66 7.188 7.776 -6.193 1.00 42.45 H new ATOM 1158 N ILE A 67 1.414 8.135 -4.530 1.00 34.24 N ATOM 1159 CA ILE A 67 0.123 7.514 -4.768 1.00 32.34 C ATOM 1160 C ILE A 67 -0.889 8.588 -5.175 1.00 73.40 C ATOM 1161 O ILE A 67 -1.326 8.631 -6.323 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.308 6.691 -3.553 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.493 5.393 -3.456 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.816 6.433 -3.572 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.263 4.513 -4.686 1.00 74.11 C ATOM 0 H ILE A 67 1.630 8.307 -3.548 1.00 34.24 H new ATOM 0 HA ILE A 67 0.187 6.807 -5.596 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.091 7.270 -2.656 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.554 5.623 -3.362 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.204 4.850 -2.556 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.096 5.846 -2.697 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.348 7.384 -3.556 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.080 5.885 -4.476 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.845 3.596 -4.591 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.796 4.265 -4.763 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.576 5.050 -5.581 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.230 9.429 -4.209 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.181 10.500 -4.453 1.00 13.42 C ATOM 1179 C ARG A 68 -1.860 11.207 -5.770 1.00 51.22 C ATOM 1180 O ARG A 68 -2.743 11.790 -6.397 1.00 0.23 O ATOM 1181 CB ARG A 68 -2.160 11.523 -3.315 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.763 11.632 -2.700 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.521 13.032 -2.134 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.803 13.632 -1.702 1.00 63.13 N ATOM 1185 CZ ARG A 68 -2.377 13.406 -0.501 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -1.787 12.590 0.398 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -3.524 13.995 -0.219 1.00 64.55 N ATOM 0 H ARG A 68 -0.865 9.390 -3.257 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.174 10.055 -4.510 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.472 12.497 -3.691 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -2.877 11.233 -2.547 1.00 13.44 H new ATOM 0 HG2 ARG A 68 -0.652 10.891 -1.908 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.011 11.406 -3.456 1.00 12.22 H new ATOM 0 HD2 ARG A 68 0.167 12.978 -1.291 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -0.051 13.662 -2.889 1.00 24.23 H new ATOM 0 HE ARG A 68 -2.283 14.255 -2.352 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.901 12.139 0.172 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -2.228 12.425 1.303 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -3.963 14.610 -0.904 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -3.971 13.835 0.684 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.593 11.131 -6.153 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.145 11.756 -7.385 1.00 45.24 C ATOM 1202 C ARG A 69 -0.646 10.964 -8.595 1.00 0.14 C ATOM 1203 O ARG A 69 -1.060 11.548 -9.596 1.00 4.20 O ATOM 1204 CB ARG A 69 1.383 11.838 -7.436 1.00 70.32 C ATOM 1205 CG ARG A 69 1.880 13.150 -6.825 1.00 44.21 C ATOM 1206 CD ARG A 69 2.120 14.203 -7.908 1.00 0.22 C ATOM 1207 NE ARG A 69 1.063 15.237 -7.852 1.00 10.40 N ATOM 1208 CZ ARG A 69 -0.123 15.144 -8.492 1.00 73.23 C ATOM 1209 NH1 ARG A 69 -0.411 14.062 -9.245 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -0.994 16.128 -8.372 1.00 11.44 N ATOM 0 H ARG A 69 0.137 10.646 -5.631 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.554 12.766 -7.413 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.815 10.995 -6.897 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.721 11.762 -8.470 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.148 13.521 -6.108 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.804 12.972 -6.275 1.00 44.21 H new ATOM 0 HD2 ARG A 69 3.098 14.663 -7.769 1.00 0.22 H new ATOM 0 HD3 ARG A 69 2.127 13.731 -8.890 1.00 0.22 H new ATOM 0 HE ARG A 69 1.241 16.073 -7.295 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.269 13.307 -9.334 1.00 43.44 H new ATOM 0 HH12 ARG A 69 -1.309 13.999 -9.725 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -0.767 16.943 -7.803 1.00 11.44 H new ATOM 0 HH22 ARG A 69 -1.894 16.073 -8.849 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.593 9.648 -8.464 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.037 8.770 -9.533 1.00 12.55 C ATOM 1225 C ARG A 70 -2.551 8.885 -9.722 1.00 23.22 C ATOM 1226 O ARG A 70 -3.034 8.987 -10.848 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.677 7.313 -9.236 1.00 25.13 C ATOM 1228 CG ARG A 70 0.638 6.923 -9.916 1.00 50.40 C ATOM 1229 CD ARG A 70 1.668 6.449 -8.889 1.00 24.25 C ATOM 1230 NE ARG A 70 2.877 7.301 -8.954 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.899 7.099 -9.811 1.00 71.15 C ATOM 1232 NH1 ARG A 70 3.868 6.070 -10.685 1.00 51.00 N ATOM 1233 NH2 ARG A 70 4.930 7.922 -9.782 1.00 40.12 N ATOM 0 H ARG A 70 -0.249 9.167 -7.633 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.529 9.079 -10.446 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.590 7.168 -8.159 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.477 6.659 -9.582 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.455 6.132 -10.644 1.00 50.40 H new ATOM 0 HG3 ARG A 70 1.034 7.777 -10.466 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.239 6.487 -7.888 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.935 5.410 -9.082 1.00 24.25 H new ATOM 0 HE ARG A 70 2.941 8.090 -8.311 1.00 54.32 H new ATOM 0 HH11 ARG A 70 3.067 5.438 -10.701 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.645 5.925 -11.329 1.00 51.00 H new ATOM 0 HH21 ARG A 70 4.946 8.697 -9.118 1.00 40.12 H new ATOM 0 HH22 ARG A 70 5.711 7.784 -10.423 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.256 8.866 -8.600 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.707 8.966 -8.627 1.00 61.25 C ATOM 1248 C LEU A 71 -5.107 10.373 -9.078 1.00 45.53 C ATOM 1249 O LEU A 71 -6.282 10.639 -9.323 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.297 8.562 -7.276 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.007 7.131 -6.819 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -4.803 7.070 -5.304 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.104 6.173 -7.288 1.00 31.15 C ATOM 0 H LEU A 71 -2.851 8.783 -7.668 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.125 8.267 -9.352 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.920 9.248 -6.517 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.378 8.697 -7.319 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.076 6.807 -7.283 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -4.598 6.042 -5.006 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -3.961 7.703 -5.024 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -5.704 7.421 -4.801 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -5.874 5.163 -6.950 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.062 6.485 -6.872 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.159 6.188 -8.377 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.106 11.237 -9.171 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.339 12.610 -9.587 1.00 2.32 C ATOM 1267 C GLN A 72 -5.640 13.136 -8.976 1.00 41.52 C ATOM 1268 O GLN A 72 -6.531 13.584 -9.697 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.364 12.724 -11.112 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.178 11.588 -11.734 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.163 11.675 -13.261 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.256 12.739 -13.850 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.037 10.497 -13.868 1.00 53.14 N ATOM 0 H GLN A 72 -3.132 11.013 -8.965 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.515 13.224 -9.223 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.792 13.684 -11.401 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.345 12.700 -11.499 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -4.771 10.628 -11.417 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.206 11.633 -11.374 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -4.964 9.643 -13.315 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.014 10.448 -14.887 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.708 13.064 -7.655 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.885 13.527 -6.940 1.00 53.22 C ATOM 1284 C LEU A 73 -6.731 15.016 -6.624 1.00 1.12 C ATOM 1285 O LEU A 73 -5.727 15.631 -6.982 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.138 12.660 -5.705 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.079 11.146 -5.925 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.731 10.417 -4.626 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.381 10.631 -6.540 1.00 40.04 C ATOM 0 H LEU A 73 -4.967 12.692 -7.061 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.774 13.422 -7.562 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.405 12.925 -4.943 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.120 12.911 -5.304 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.281 10.935 -6.637 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.695 9.343 -4.810 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.759 10.756 -4.268 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.490 10.631 -3.874 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.313 9.553 -6.686 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.213 10.855 -5.872 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.547 11.118 -7.501 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.742 15.555 -5.958 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.731 16.960 -5.590 1.00 74.20 C ATOM 1303 C ASN A 74 -7.739 17.084 -4.065 1.00 51.40 C ATOM 1304 O ASN A 74 -7.659 16.082 -3.356 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.970 17.680 -6.129 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.708 18.254 -7.522 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.881 17.768 -8.276 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.455 19.311 -7.821 1.00 1.30 N ATOM 0 H ASN A 74 -8.574 15.044 -5.664 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.836 17.413 -6.016 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.809 16.986 -6.170 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.253 18.483 -5.448 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -9.355 19.766 -8.728 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.129 19.667 -7.143 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.835 18.323 -3.604 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.853 18.590 -2.176 1.00 24.42 C ATOM 1317 C ALA A 75 -9.229 18.226 -1.611 1.00 44.43 C ATOM 1318 O ALA A 75 -9.374 18.024 -0.407 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.490 20.056 -1.927 1.00 14.40 C ATOM 0 H ALA A 75 -7.901 19.152 -4.194 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.112 17.978 -1.661 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -7.503 20.257 -0.856 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.494 20.256 -2.322 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -8.214 20.700 -2.426 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.200 18.154 -2.508 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.558 17.817 -2.114 1.00 24.12 C ATOM 1327 C ASN A 76 -11.681 16.299 -1.968 1.00 74.34 C ATOM 1328 O ASN A 76 -12.625 15.806 -1.354 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.567 18.274 -3.170 1.00 13.50 C ATOM 1330 CG ASN A 76 -12.410 17.470 -4.462 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -11.826 17.919 -5.436 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -12.961 16.262 -4.419 1.00 33.55 N ATOM 0 H ASN A 76 -10.074 18.323 -3.506 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.770 18.320 -1.171 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -13.580 18.157 -2.785 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -12.426 19.335 -3.378 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -12.910 15.649 -5.233 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -13.435 15.948 -3.572 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.713 15.601 -2.544 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.702 14.150 -2.486 1.00 23.14 C ATOM 1341 C GLN A 77 -9.757 13.671 -1.381 1.00 75.30 C ATOM 1342 O GLN A 77 -8.553 13.919 -1.438 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.311 13.550 -3.837 1.00 64.02 C ATOM 1344 CG GLN A 77 -9.986 12.061 -3.704 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.241 11.254 -3.365 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.303 10.858 -2.096 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.095 11.006 -4.200 1.00 2.12 N flip ATOM 0 H GLN A 77 -9.931 16.014 -3.053 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.710 13.808 -2.251 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.126 13.686 -4.548 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.447 14.080 -4.237 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.554 11.695 -4.635 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.236 11.917 -2.927 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -11.985 11.341 -5.157 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.919 10.464 -3.941 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.338 12.993 -0.402 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.563 12.478 0.714 1.00 43.41 C ATOM 1358 C ALA A 78 -8.996 11.106 0.345 1.00 61.31 C ATOM 1359 O ALA A 78 -9.726 10.232 -0.122 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.442 12.427 1.966 1.00 61.34 C ATOM 0 H ALA A 78 -11.336 12.788 -0.359 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.721 13.135 0.932 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.861 12.041 2.803 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.797 13.430 2.203 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.296 11.774 1.785 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.698 10.959 0.565 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.023 9.709 0.260 1.00 50.43 C ATOM 1368 C PHE A 79 -6.109 9.284 1.411 1.00 43.02 C ATOM 1369 O PHE A 79 -5.378 10.105 1.963 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.173 9.951 -0.987 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.876 9.139 -1.025 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.920 7.795 -1.222 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.679 9.763 -0.859 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.718 7.042 -1.257 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.475 9.011 -0.893 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.520 7.666 -1.091 1.00 20.55 C ATOM 0 H PHE A 79 -7.095 11.686 0.951 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.758 8.919 0.104 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.765 9.711 -1.870 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.927 11.011 -1.046 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.871 7.300 -1.352 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.644 10.831 -0.701 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.754 5.974 -1.415 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.524 9.506 -0.762 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.605 7.093 -1.116 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.180 8.003 1.740 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.368 7.460 2.816 1.00 53.43 C ATOM 1388 C PHE A 80 -4.897 6.042 2.486 1.00 1.31 C ATOM 1389 O PHE A 80 -5.712 5.161 2.213 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.251 7.414 4.064 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.358 8.750 4.801 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.234 9.368 5.255 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -7.576 9.320 5.003 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -5.332 10.609 5.938 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -7.674 10.561 5.687 1.00 2.11 C ATOM 1396 CZ PHE A 80 -6.550 11.179 6.140 1.00 53.22 C ATOM 0 H PHE A 80 -6.788 7.325 1.280 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.485 8.082 2.965 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.251 7.088 3.777 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.855 6.664 4.749 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.267 8.914 5.096 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -8.468 8.829 4.644 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -4.440 11.100 6.297 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -8.641 11.014 5.847 1.00 2.11 H new ATOM 0 HZ PHE A 80 -6.625 12.123 6.660 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.586 5.865 2.520 1.00 13.24 N ATOM 1407 CA LEU A 81 -2.997 4.568 2.228 1.00 10.45 C ATOM 1408 C LEU A 81 -2.876 3.764 3.524 1.00 41.41 C ATOM 1409 O LEU A 81 -2.065 4.091 4.388 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.672 4.738 1.484 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.103 3.476 0.830 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.199 2.430 0.613 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.369 3.814 -0.468 1.00 32.24 C ATOM 0 H LEU A 81 -2.913 6.598 2.745 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.642 3.998 1.559 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.807 5.495 0.711 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -0.932 5.126 2.184 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.371 3.040 1.509 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.769 1.543 0.147 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.638 2.159 1.573 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -2.972 2.842 -0.036 1.00 70.10 H new ATOM 0 HD21 LEU A 81 0.025 2.900 -0.912 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.061 4.287 -1.165 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.453 4.497 -0.254 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.695 2.727 3.618 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.691 1.874 4.794 1.00 2.41 C ATOM 1427 C LEU A 82 -2.586 0.825 4.652 1.00 23.30 C ATOM 1428 O LEU A 82 -2.663 -0.051 3.791 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.079 1.277 5.029 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.173 2.265 5.439 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.868 2.885 6.804 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.385 3.328 4.361 1.00 2.33 C ATOM 0 H LEU A 82 -4.366 2.458 2.899 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.466 2.457 5.687 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.396 0.773 4.116 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.998 0.513 5.803 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.109 1.716 5.537 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.661 3.583 7.072 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.808 2.098 7.556 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.917 3.416 6.758 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.168 4.017 4.678 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.457 3.879 4.206 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.681 2.847 3.429 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.584 0.947 5.511 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.465 0.019 5.493 1.00 54.23 C ATOM 1446 C VAL A 83 -0.838 -1.237 6.279 1.00 0.12 C ATOM 1447 O VAL A 83 -0.957 -1.196 7.503 1.00 11.13 O ATOM 1448 CB VAL A 83 0.794 0.708 6.025 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.868 -0.319 6.388 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.328 1.729 5.019 1.00 25.30 C ATOM 0 H VAL A 83 -1.524 1.674 6.224 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.242 -0.292 4.472 1.00 54.23 H new ATOM 0 HB VAL A 83 0.523 1.245 6.934 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.752 0.196 6.763 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.485 -0.990 7.157 1.00 75.33 H new ATOM 0 HG13 VAL A 83 2.133 -0.897 5.502 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.223 2.204 5.422 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.575 1.225 4.085 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.568 2.487 4.832 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.010 -2.328 5.546 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.367 -3.595 6.160 1.00 22.42 C ATOM 1462 C ASN A 84 -2.781 -3.499 6.735 1.00 41.23 C ATOM 1463 O ASN A 84 -3.185 -4.333 7.544 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.413 -3.939 7.306 1.00 70.52 C ATOM 1465 CG ASN A 84 0.465 -5.140 6.947 1.00 20.31 C ATOM 1466 OD1 ASN A 84 0.234 -5.843 5.977 1.00 32.51 O ATOM 1467 ND2 ASN A 84 1.483 -5.334 7.780 1.00 73.33 N ATOM 0 H ASN A 84 -0.908 -2.360 4.532 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.307 -4.369 5.395 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.217 -3.078 7.531 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -0.986 -4.159 8.207 1.00 70.52 H new ATOM 0 HD21 ASN A 84 2.128 -6.109 7.626 1.00 73.33 H new ATOM 0 HD22 ASN A 84 1.619 -4.708 8.573 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.495 -2.473 6.296 1.00 4.15 N ATOM 1475 CA GLY A 85 -4.856 -2.256 6.757 1.00 4.21 C ATOM 1476 C GLY A 85 -4.898 -1.206 7.869 1.00 61.15 C ATOM 1477 O GLY A 85 -5.943 -0.982 8.478 1.00 20.01 O ATOM 0 H GLY A 85 -3.157 -1.783 5.626 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.479 -1.933 5.923 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.274 -3.194 7.122 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.748 -0.589 8.100 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.640 0.432 9.128 1.00 11.12 C ATOM 1483 C HIS A 86 -3.016 1.697 8.531 1.00 50.33 C ATOM 1484 O HIS A 86 -1.955 1.637 7.913 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.868 -0.095 10.338 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.513 -0.670 10.000 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.420 0.120 9.686 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.086 -1.963 9.931 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.612 -0.674 9.440 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.197 -1.965 9.591 1.00 4.14 N ATOM 0 H HIS A 86 -2.883 -0.777 7.593 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.634 0.695 9.491 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.738 0.716 11.055 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.465 -0.863 10.830 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -1.690 -2.838 10.121 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.607 -0.355 9.168 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.777 -2.794 9.464 1.00 4.14 H new ATOM 1498 N SER A 87 -3.703 2.811 8.740 1.00 21.12 N ATOM 1499 CA SER A 87 -3.230 4.087 8.231 1.00 35.33 C ATOM 1500 C SER A 87 -1.832 4.383 8.778 1.00 12.03 C ATOM 1501 O SER A 87 -1.336 3.665 9.645 1.00 44.20 O ATOM 1502 CB SER A 87 -4.194 5.217 8.596 1.00 21.01 C ATOM 1503 OG SER A 87 -4.803 5.008 9.868 1.00 72.54 O ATOM 0 H SER A 87 -4.583 2.856 9.254 1.00 21.12 H new ATOM 0 HA SER A 87 -3.182 4.025 7.144 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.656 6.165 8.603 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.967 5.295 7.832 1.00 21.01 H new ATOM 0 HG SER A 87 -4.870 5.863 10.343 1.00 72.54 H new ATOM 1509 N MET A 88 -1.237 5.441 8.249 1.00 23.44 N ATOM 1510 CA MET A 88 0.094 5.842 8.674 1.00 70.11 C ATOM 1511 C MET A 88 0.086 7.266 9.232 1.00 34.21 C ATOM 1512 O MET A 88 0.985 8.055 8.945 1.00 30.24 O ATOM 1513 CB MET A 88 1.054 5.765 7.486 1.00 23.21 C ATOM 1514 CG MET A 88 0.372 6.232 6.199 1.00 12.04 C ATOM 1515 SD MET A 88 -0.059 7.959 6.329 1.00 73.31 S ATOM 1516 CE MET A 88 -1.828 7.854 6.112 1.00 51.33 C ATOM 0 H MET A 88 -1.652 6.033 7.530 1.00 23.44 H new ATOM 0 HA MET A 88 0.422 5.165 9.463 1.00 70.11 H new ATOM 0 HB2 MET A 88 1.931 6.382 7.682 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.406 4.741 7.364 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.036 6.077 5.349 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.523 5.638 6.016 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.183 8.738 5.581 1.00 51.33 H new ATOM 0 HE2 MET A 88 -2.071 6.962 5.535 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.312 7.798 7.087 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.940 7.553 10.020 1.00 62.44 N ATOM 1527 CA VAL A 89 -1.077 8.869 10.622 1.00 62.21 C ATOM 1528 C VAL A 89 0.299 9.368 11.065 1.00 24.13 C ATOM 1529 O VAL A 89 0.554 10.571 11.074 1.00 1.15 O ATOM 1530 CB VAL A 89 -2.092 8.818 11.765 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -3.343 8.040 11.354 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.466 8.224 13.028 1.00 72.21 C ATOM 0 H VAL A 89 -1.684 6.897 10.256 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.463 9.584 9.895 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.394 9.841 11.990 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -4.048 8.019 12.185 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -3.808 8.526 10.496 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -3.066 7.020 11.088 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.209 8.199 13.825 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.122 7.211 12.821 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -0.621 8.838 13.339 1.00 72.21 H new ATOM 1542 N SER A 90 1.151 8.418 11.423 1.00 43.15 N ATOM 1543 CA SER A 90 2.495 8.746 11.867 1.00 5.54 C ATOM 1544 C SER A 90 3.525 8.066 10.964 1.00 40.34 C ATOM 1545 O SER A 90 3.724 6.855 11.045 1.00 35.33 O ATOM 1546 CB SER A 90 2.710 8.331 13.324 1.00 14.32 C ATOM 1547 OG SER A 90 3.693 9.137 13.968 1.00 2.52 O ATOM 0 H SER A 90 0.936 7.421 11.414 1.00 43.15 H new ATOM 0 HA SER A 90 2.622 9.827 11.803 1.00 5.54 H new ATOM 0 HB2 SER A 90 1.767 8.407 13.866 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.016 7.286 13.362 1.00 14.32 H new ATOM 0 HG SER A 90 3.800 8.842 14.896 1.00 2.52 H new ATOM 1553 N VAL A 91 4.153 8.874 10.122 1.00 73.43 N ATOM 1554 CA VAL A 91 5.157 8.366 9.204 1.00 23.12 C ATOM 1555 C VAL A 91 6.542 8.820 9.668 1.00 2.11 C ATOM 1556 O VAL A 91 6.987 9.915 9.328 1.00 34.04 O ATOM 1557 CB VAL A 91 4.831 8.806 7.775 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.101 10.150 7.769 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.097 8.865 6.918 1.00 15.53 C ATOM 0 H VAL A 91 3.985 9.878 10.057 1.00 73.43 H new ATOM 0 HA VAL A 91 5.156 7.276 9.202 1.00 23.12 H new ATOM 0 HB VAL A 91 4.165 8.062 7.338 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.881 10.440 6.742 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.170 10.061 8.328 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.731 10.909 8.233 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.838 9.180 5.907 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.797 9.578 7.352 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.559 7.878 6.883 1.00 15.53 H new ATOM 1569 N SER A 92 7.186 7.954 10.437 1.00 1.13 N ATOM 1570 CA SER A 92 8.512 8.252 10.952 1.00 51.40 C ATOM 1571 C SER A 92 9.457 7.081 10.674 1.00 74.42 C ATOM 1572 O SER A 92 10.540 7.002 11.251 1.00 22.05 O ATOM 1573 CB SER A 92 8.467 8.553 12.452 1.00 12.45 C ATOM 1574 OG SER A 92 9.337 7.704 13.193 1.00 11.51 O ATOM 0 H SER A 92 6.814 7.046 10.716 1.00 1.13 H new ATOM 0 HA SER A 92 8.884 9.141 10.442 1.00 51.40 H new ATOM 0 HB2 SER A 92 8.745 9.593 12.621 1.00 12.45 H new ATOM 0 HB3 SER A 92 7.446 8.432 12.815 1.00 12.45 H new ATOM 0 HG SER A 92 10.220 7.690 12.768 1.00 11.51 H new ATOM 1580 N THR A 93 9.012 6.201 9.790 1.00 61.14 N ATOM 1581 CA THR A 93 9.803 5.037 9.429 1.00 63.22 C ATOM 1582 C THR A 93 9.961 4.950 7.910 1.00 21.35 C ATOM 1583 O THR A 93 9.037 5.278 7.166 1.00 40.15 O ATOM 1584 CB THR A 93 9.138 3.803 10.042 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.127 4.075 11.441 1.00 4.41 O ATOM 1586 CG2 THR A 93 10.002 2.548 9.913 1.00 72.01 C ATOM 0 H THR A 93 8.113 6.271 9.313 1.00 61.14 H new ATOM 0 HA THR A 93 10.815 5.109 9.827 1.00 63.22 H new ATOM 0 HB THR A 93 8.175 3.632 9.560 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.711 3.326 11.917 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.484 1.702 10.364 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.187 2.341 8.859 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.952 2.706 10.424 1.00 72.01 H new ATOM 1594 N PRO A 94 11.169 4.495 7.482 1.00 14.14 N ATOM 1595 CA PRO A 94 11.459 4.361 6.064 1.00 74.20 C ATOM 1596 C PRO A 94 10.751 3.140 5.473 1.00 15.02 C ATOM 1597 O PRO A 94 10.684 2.088 6.107 1.00 45.33 O ATOM 1598 CB PRO A 94 12.974 4.267 5.980 1.00 44.34 C ATOM 1599 CG PRO A 94 13.447 3.885 7.374 1.00 22.42 C ATOM 1600 CD PRO A 94 12.286 4.096 8.333 1.00 54.04 C ATOM 0 HA PRO A 94 11.092 5.204 5.478 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.279 3.521 5.246 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.407 5.217 5.667 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.775 2.846 7.395 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.301 4.495 7.668 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.057 3.184 8.884 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.516 4.865 9.070 1.00 54.04 H new ATOM 1608 N ILE A 95 10.240 3.321 4.263 1.00 43.23 N ATOM 1609 CA ILE A 95 9.540 2.248 3.579 1.00 11.34 C ATOM 1610 C ILE A 95 10.385 0.974 3.635 1.00 4.52 C ATOM 1611 O ILE A 95 9.850 -0.133 3.627 1.00 11.01 O ATOM 1612 CB ILE A 95 9.164 2.674 2.158 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.076 1.764 1.582 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.399 2.733 1.258 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.893 2.583 1.064 1.00 23.35 C ATOM 0 H ILE A 95 10.297 4.195 3.740 1.00 43.23 H new ATOM 0 HA ILE A 95 8.598 2.028 4.082 1.00 11.34 H new ATOM 0 HB ILE A 95 8.750 3.681 2.202 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.490 1.164 0.772 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.734 1.070 2.349 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.103 3.038 0.254 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.110 3.454 1.662 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.865 1.749 1.215 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.135 1.912 0.660 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.466 3.163 1.882 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.234 3.259 0.280 1.00 23.35 H new ATOM 1627 N SER A 96 11.694 1.175 3.692 1.00 11.42 N ATOM 1628 CA SER A 96 12.620 0.056 3.749 1.00 51.52 C ATOM 1629 C SER A 96 12.343 -0.790 4.994 1.00 41.31 C ATOM 1630 O SER A 96 12.385 -2.018 4.937 1.00 24.42 O ATOM 1631 CB SER A 96 14.071 0.542 3.751 1.00 73.11 C ATOM 1632 OG SER A 96 14.947 -0.396 4.370 1.00 50.12 O ATOM 0 H SER A 96 12.135 2.095 3.700 1.00 11.42 H new ATOM 0 HA SER A 96 12.471 -0.557 2.860 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.395 0.719 2.726 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.133 1.496 4.274 1.00 73.11 H new ATOM 0 HG SER A 96 15.864 -0.050 4.350 1.00 50.12 H new ATOM 1638 N GLU A 97 12.065 -0.099 6.090 1.00 73.25 N ATOM 1639 CA GLU A 97 11.781 -0.772 7.347 1.00 22.40 C ATOM 1640 C GLU A 97 10.307 -1.177 7.409 1.00 74.43 C ATOM 1641 O GLU A 97 9.990 -2.339 7.656 1.00 53.53 O ATOM 1642 CB GLU A 97 12.158 0.111 8.537 1.00 24.31 C ATOM 1643 CG GLU A 97 13.677 0.261 8.650 1.00 14.32 C ATOM 1644 CD GLU A 97 14.071 0.838 10.012 1.00 13.10 C ATOM 1645 OE1 GLU A 97 13.194 1.194 10.812 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.341 0.908 10.226 1.00 21.14 O ATOM 0 H GLU A 97 12.030 0.919 6.134 1.00 73.25 H new ATOM 0 HA GLU A 97 12.388 -1.675 7.400 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.699 1.093 8.425 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.763 -0.322 9.456 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.153 -0.709 8.511 1.00 14.32 H new ATOM 0 HG3 GLU A 97 14.042 0.912 7.856 1.00 14.32 H new ATOM 1654 N VAL A 98 9.446 -0.195 7.182 1.00 73.03 N ATOM 1655 CA VAL A 98 8.014 -0.436 7.210 1.00 14.31 C ATOM 1656 C VAL A 98 7.707 -1.750 6.488 1.00 14.23 C ATOM 1657 O VAL A 98 6.785 -2.470 6.868 1.00 62.31 O ATOM 1658 CB VAL A 98 7.270 0.761 6.614 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.863 0.364 6.164 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.221 1.925 7.606 1.00 53.40 C ATOM 0 H VAL A 98 9.713 0.768 6.978 1.00 73.03 H new ATOM 0 HA VAL A 98 7.665 -0.541 8.237 1.00 14.31 H new ATOM 0 HB VAL A 98 7.821 1.094 5.734 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.356 1.233 5.744 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.930 -0.417 5.407 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.299 -0.007 7.019 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.687 2.763 7.158 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.705 1.609 8.513 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.236 2.234 7.855 1.00 53.40 H new ATOM 1670 N TYR A 99 8.496 -2.021 5.459 1.00 23.41 N ATOM 1671 CA TYR A 99 8.321 -3.235 4.681 1.00 72.23 C ATOM 1672 C TYR A 99 8.917 -4.443 5.407 1.00 41.42 C ATOM 1673 O TYR A 99 8.327 -5.522 5.412 1.00 44.51 O ATOM 1674 CB TYR A 99 9.086 -3.013 3.375 1.00 73.42 C ATOM 1675 CG TYR A 99 9.528 -4.305 2.684 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.649 -4.975 3.129 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.806 -4.798 1.617 1.00 72.44 C ATOM 1678 CE1 TYR A 99 11.065 -6.191 2.480 1.00 13.41 C ATOM 1679 CE2 TYR A 99 9.223 -6.015 0.967 1.00 65.15 C ATOM 1680 CZ TYR A 99 10.331 -6.651 1.431 1.00 12.34 C ATOM 1681 OH TYR A 99 10.725 -7.799 0.817 1.00 34.03 O ATOM 0 H TYR A 99 9.258 -1.420 5.146 1.00 23.41 H new ATOM 0 HA TYR A 99 7.262 -3.436 4.517 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.457 -2.444 2.690 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.966 -2.404 3.581 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.214 -4.588 3.964 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.929 -4.273 1.269 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.940 -6.726 2.818 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.668 -6.412 0.130 1.00 65.15 H new ATOM 0 HH TYR A 99 9.976 -8.170 0.306 1.00 34.03 H new ATOM 1691 N GLU A 100 10.080 -4.221 6.001 1.00 24.12 N ATOM 1692 CA GLU A 100 10.762 -5.278 6.730 1.00 10.14 C ATOM 1693 C GLU A 100 10.109 -5.489 8.096 1.00 24.24 C ATOM 1694 O GLU A 100 10.490 -6.394 8.837 1.00 64.34 O ATOM 1695 CB GLU A 100 12.253 -4.967 6.877 1.00 52.12 C ATOM 1696 CG GLU A 100 12.527 -4.190 8.166 1.00 41.55 C ATOM 1697 CD GLU A 100 13.866 -3.456 8.091 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.350 -3.158 6.987 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.409 -3.193 9.231 1.00 74.24 O ATOM 0 H GLU A 100 10.568 -3.325 5.993 1.00 24.12 H new ATOM 0 HA GLU A 100 10.671 -6.203 6.160 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.823 -5.896 6.880 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.593 -4.387 6.019 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.725 -3.473 8.340 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.531 -4.875 9.014 1.00 41.55 H new ATOM 1707 N SER A 101 9.135 -4.640 8.388 1.00 23.43 N ATOM 1708 CA SER A 101 8.424 -4.723 9.653 1.00 33.22 C ATOM 1709 C SER A 101 6.956 -5.077 9.406 1.00 63.15 C ATOM 1710 O SER A 101 6.154 -5.102 10.339 1.00 0.10 O ATOM 1711 CB SER A 101 8.529 -3.409 10.431 1.00 23.11 C ATOM 1712 OG SER A 101 9.748 -3.319 11.163 1.00 11.13 O ATOM 0 H SER A 101 8.821 -3.891 7.771 1.00 23.43 H new ATOM 0 HA SER A 101 8.885 -5.508 10.253 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.459 -2.571 9.738 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.687 -3.326 11.118 1.00 23.11 H new ATOM 0 HG SER A 101 9.778 -2.466 11.645 1.00 11.13 H new ATOM 1718 N GLU A 102 6.649 -5.343 8.145 1.00 74.03 N ATOM 1719 CA GLU A 102 5.292 -5.695 7.764 1.00 73.55 C ATOM 1720 C GLU A 102 5.300 -6.900 6.821 1.00 44.54 C ATOM 1721 O GLU A 102 4.630 -7.898 7.078 1.00 34.43 O ATOM 1722 CB GLU A 102 4.575 -4.504 7.125 1.00 0.30 C ATOM 1723 CG GLU A 102 4.615 -3.282 8.043 1.00 75.10 C ATOM 1724 CD GLU A 102 3.398 -3.251 8.970 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.318 -2.804 8.558 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.604 -3.715 10.156 1.00 73.01 O ATOM 0 H GLU A 102 7.317 -5.322 7.374 1.00 74.03 H new ATOM 0 HA GLU A 102 4.742 -5.967 8.665 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.044 -4.262 6.171 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.539 -4.770 6.913 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.529 -3.299 8.637 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.642 -2.373 7.443 1.00 75.10 H new ATOM 1734 N ARG A 103 6.068 -6.766 5.750 1.00 73.01 N ATOM 1735 CA ARG A 103 6.174 -7.832 4.767 1.00 11.32 C ATOM 1736 C ARG A 103 6.139 -9.196 5.458 1.00 10.30 C ATOM 1737 O ARG A 103 6.512 -9.315 6.625 1.00 22.34 O ATOM 1738 CB ARG A 103 7.467 -7.710 3.959 1.00 73.24 C ATOM 1739 CG ARG A 103 8.685 -8.048 4.820 1.00 1.11 C ATOM 1740 CD ARG A 103 9.020 -9.540 4.735 1.00 64.23 C ATOM 1741 NE ARG A 103 9.554 -10.013 6.032 1.00 73.51 N ATOM 1742 CZ ARG A 103 9.886 -11.296 6.290 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.743 -12.246 5.340 1.00 40.42 N ATOM 1744 NH2 ARG A 103 10.353 -11.608 7.484 1.00 53.31 N ATOM 0 H ARG A 103 6.623 -5.936 5.541 1.00 73.01 H new ATOM 0 HA ARG A 103 5.326 -7.743 4.088 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.428 -8.379 3.100 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.562 -6.696 3.569 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.542 -7.460 4.491 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.489 -7.774 5.857 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.127 -10.107 4.471 1.00 64.23 H new ATOM 0 HD3 ARG A 103 9.752 -9.713 3.946 1.00 64.23 H new ATOM 0 HE ARG A 103 9.679 -9.327 6.777 1.00 73.51 H new ATOM 0 HH11 ARG A 103 9.382 -11.996 4.419 1.00 40.42 H new ATOM 0 HH12 ARG A 103 9.996 -13.213 5.543 1.00 40.42 H new ATOM 0 HH21 ARG A 103 10.458 -10.885 8.195 1.00 53.31 H new ATOM 0 HH22 ARG A 103 10.609 -12.573 7.696 1.00 53.31 H new ATOM 1757 N ASP A 104 5.687 -10.191 4.710 1.00 3.22 N ATOM 1758 CA ASP A 104 5.598 -11.544 5.235 1.00 24.23 C ATOM 1759 C ASP A 104 6.572 -12.447 4.475 1.00 52.11 C ATOM 1760 O ASP A 104 7.333 -11.974 3.634 1.00 14.33 O ATOM 1761 CB ASP A 104 4.189 -12.112 5.059 1.00 21.34 C ATOM 1762 CG ASP A 104 3.700 -12.996 6.207 1.00 33.24 C ATOM 1763 OD1 ASP A 104 4.497 -13.492 7.016 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.422 -13.172 6.254 1.00 12.42 O ATOM 0 H ASP A 104 5.378 -10.088 3.743 1.00 3.22 H new ATOM 0 HA ASP A 104 5.842 -11.510 6.297 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.492 -11.283 4.937 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.160 -12.692 4.136 1.00 21.34 H new ATOM 1770 N GLU A 105 6.515 -13.730 4.801 1.00 4.45 N ATOM 1771 CA GLU A 105 7.382 -14.704 4.159 1.00 23.41 C ATOM 1772 C GLU A 105 7.460 -14.434 2.656 1.00 43.50 C ATOM 1773 O GLU A 105 8.550 -14.305 2.100 1.00 71.12 O ATOM 1774 CB GLU A 105 6.904 -16.130 4.437 1.00 74.25 C ATOM 1775 CG GLU A 105 6.905 -16.426 5.939 1.00 61.33 C ATOM 1776 CD GLU A 105 6.580 -17.897 6.208 1.00 54.43 C ATOM 1777 OE1 GLU A 105 5.967 -18.562 5.359 1.00 41.24 O ATOM 1778 OE2 GLU A 105 6.989 -18.345 7.346 1.00 31.11 O ATOM 0 H GLU A 105 5.882 -14.118 5.501 1.00 4.45 H new ATOM 0 HA GLU A 105 8.383 -14.604 4.578 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.899 -16.265 4.037 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.550 -16.841 3.922 1.00 74.25 H new ATOM 0 HG2 GLU A 105 7.880 -16.182 6.361 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.174 -15.791 6.439 1.00 61.33 H new ATOM 1786 N ASP A 106 6.291 -14.360 2.038 1.00 14.21 N ATOM 1787 CA ASP A 106 6.213 -14.110 0.609 1.00 71.01 C ATOM 1788 C ASP A 106 7.258 -13.061 0.222 1.00 12.41 C ATOM 1789 O ASP A 106 8.050 -13.277 -0.694 1.00 41.35 O ATOM 1790 CB ASP A 106 4.835 -13.570 0.218 1.00 4.22 C ATOM 1791 CG ASP A 106 4.158 -12.697 1.277 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.788 -11.807 1.869 1.00 41.53 O ATOM 1793 OD2 ASP A 106 2.915 -12.964 1.490 1.00 55.23 O ATOM 0 H ASP A 106 5.389 -14.469 2.501 1.00 14.21 H new ATOM 0 HA ASP A 106 6.391 -15.053 0.092 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.936 -12.990 -0.699 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.182 -14.413 -0.008 1.00 4.22 H new ATOM 1799 N GLY A 107 7.227 -11.947 0.939 1.00 33.44 N ATOM 1800 CA GLY A 107 8.162 -10.866 0.682 1.00 23.13 C ATOM 1801 C GLY A 107 7.501 -9.754 -0.136 1.00 31.21 C ATOM 1802 O GLY A 107 8.166 -9.078 -0.921 1.00 13.31 O ATOM 0 H GLY A 107 6.569 -11.770 1.698 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.525 -10.461 1.627 1.00 23.13 H new ATOM 0 HA3 GLY A 107 9.030 -11.250 0.146 1.00 23.13 H new ATOM 1806 N PHE A 108 6.203 -9.598 0.075 1.00 52.33 N ATOM 1807 CA PHE A 108 5.446 -8.580 -0.634 1.00 14.14 C ATOM 1808 C PHE A 108 4.600 -7.752 0.336 1.00 21.33 C ATOM 1809 O PHE A 108 3.927 -8.304 1.204 1.00 22.32 O ATOM 1810 CB PHE A 108 4.518 -9.309 -1.607 1.00 51.42 C ATOM 1811 CG PHE A 108 4.592 -8.790 -3.045 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.939 -7.497 -3.283 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.313 -9.622 -4.083 1.00 14.11 C ATOM 1814 CE1 PHE A 108 5.007 -7.016 -4.617 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.382 -9.141 -5.417 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.728 -7.847 -5.657 1.00 4.21 C ATOM 0 H PHE A 108 5.656 -10.160 0.727 1.00 52.33 H new ATOM 0 HA PHE A 108 6.126 -7.903 -1.151 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.765 -10.371 -1.602 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.492 -9.218 -1.251 1.00 51.42 H new ATOM 0 HD1 PHE A 108 5.163 -6.837 -2.458 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.039 -10.649 -3.893 1.00 14.11 H new ATOM 0 HE1 PHE A 108 5.281 -5.989 -4.806 1.00 73.31 H new ATOM 0 HE2 PHE A 108 4.160 -9.802 -6.241 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.781 -7.480 -6.672 1.00 4.21 H new ATOM 1826 N LEU A 109 4.663 -6.441 0.154 1.00 21.41 N ATOM 1827 CA LEU A 109 3.911 -5.532 1.002 1.00 35.21 C ATOM 1828 C LEU A 109 2.448 -5.517 0.555 1.00 20.13 C ATOM 1829 O LEU A 109 2.161 -5.467 -0.641 1.00 53.12 O ATOM 1830 CB LEU A 109 4.564 -4.148 1.014 1.00 71.00 C ATOM 1831 CG LEU A 109 5.344 -3.786 2.279 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.453 -3.054 3.284 1.00 10.31 C ATOM 1833 CD2 LEU A 109 6.001 -5.026 2.892 1.00 53.35 C ATOM 0 H LEU A 109 5.223 -5.987 -0.568 1.00 21.41 H new ATOM 0 HA LEU A 109 3.925 -5.876 2.036 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.240 -4.080 0.162 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.786 -3.400 0.864 1.00 71.00 H new ATOM 0 HG LEU A 109 6.145 -3.101 2.001 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.033 -2.809 4.174 1.00 10.31 H new ATOM 0 HD12 LEU A 109 4.074 -2.137 2.834 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.616 -3.694 3.562 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.549 -4.741 3.790 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.233 -5.754 3.152 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.690 -5.467 2.171 1.00 53.35 H new ATOM 1845 N TYR A 110 1.561 -5.562 1.538 1.00 30.44 N ATOM 1846 CA TYR A 110 0.134 -5.555 1.261 1.00 32.34 C ATOM 1847 C TYR A 110 -0.554 -4.385 1.967 1.00 41.52 C ATOM 1848 O TYR A 110 -0.715 -4.399 3.187 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.411 -6.868 1.825 1.00 11.21 C ATOM 1850 CG TYR A 110 0.187 -8.119 1.178 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.225 -8.509 -0.080 1.00 40.13 C ATOM 1852 CD2 TYR A 110 1.139 -8.858 1.853 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.338 -9.686 -0.690 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.701 -10.035 1.244 1.00 23.30 C ATOM 1855 CZ TYR A 110 1.273 -10.390 0.003 1.00 64.21 C ATOM 1856 OH TYR A 110 1.805 -11.502 -0.572 1.00 75.44 O ATOM 0 H TYR A 110 1.803 -5.603 2.528 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.050 -5.452 0.192 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.218 -6.899 2.897 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.493 -6.886 1.695 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -0.970 -7.931 -0.607 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.462 -8.553 2.837 1.00 65.35 H new ATOM 0 HE1 TYR A 110 0.025 -10.002 -1.674 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.445 -10.623 1.761 1.00 23.30 H new ATOM 0 HH TYR A 110 1.997 -12.169 0.120 1.00 75.44 H new ATOM 1866 N MET A 111 -0.944 -3.401 1.170 1.00 11.54 N ATOM 1867 CA MET A 111 -1.612 -2.225 1.704 1.00 54.55 C ATOM 1868 C MET A 111 -2.863 -1.890 0.890 1.00 15.42 C ATOM 1869 O MET A 111 -2.901 -2.116 -0.319 1.00 64.01 O ATOM 1870 CB MET A 111 -0.650 -1.036 1.676 1.00 60.14 C ATOM 1871 CG MET A 111 0.789 -1.487 1.935 1.00 4.13 C ATOM 1872 SD MET A 111 1.840 -0.065 2.176 1.00 11.21 S ATOM 1873 CE MET A 111 3.199 -0.498 1.104 1.00 41.54 C ATOM 0 H MET A 111 -0.810 -3.393 0.159 1.00 11.54 H new ATOM 0 HA MET A 111 -1.914 -2.435 2.730 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.710 -0.538 0.708 1.00 60.14 H new ATOM 0 HB3 MET A 111 -0.947 -0.306 2.429 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.825 -2.129 2.815 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.151 -2.078 1.094 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.141 -0.338 1.628 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.117 -1.546 0.818 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.170 0.125 0.210 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.857 -1.356 1.584 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.106 -0.987 0.941 1.00 51.41 C ATOM 1885 C VAL A 112 -5.300 0.527 1.043 1.00 34.21 C ATOM 1886 O VAL A 112 -4.911 1.140 2.036 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.263 -1.781 1.552 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.586 -1.030 1.395 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.351 -3.180 0.940 1.00 14.04 C ATOM 0 H VAL A 112 -3.822 -1.170 2.586 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.079 -1.240 -0.119 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.066 -1.894 2.618 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.392 -1.616 1.837 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.519 -0.066 1.899 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.791 -0.872 0.336 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.181 -3.723 1.392 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.513 -3.097 -0.135 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.421 -3.718 1.126 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.901 1.087 0.004 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.150 2.517 -0.036 1.00 64.13 C ATOM 1901 C TYR A 113 -7.647 2.809 -0.165 1.00 45.34 C ATOM 1902 O TYR A 113 -8.412 1.959 -0.618 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.433 3.037 -1.283 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.218 2.838 -2.581 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.346 3.593 -2.827 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -5.797 1.905 -3.506 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -8.085 3.406 -4.049 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -6.536 1.718 -4.728 1.00 63.43 C ATOM 1909 CZ TYR A 113 -7.643 2.478 -4.939 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.341 2.302 -6.093 1.00 43.21 O ATOM 0 H TYR A 113 -6.223 0.575 -0.817 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.796 2.993 0.878 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.227 4.100 -1.154 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.470 2.534 -1.372 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.675 4.324 -2.103 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -4.913 1.315 -3.314 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -8.970 3.990 -4.254 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -6.218 0.990 -5.460 1.00 63.43 H new ATOM 0 HH TYR A 113 -8.709 3.161 -6.387 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.020 4.014 0.241 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.411 4.428 0.175 1.00 1.44 C ATOM 1922 C ALA A 114 -9.531 5.876 0.656 1.00 2.12 C ATOM 1923 O ALA A 114 -8.538 6.486 1.054 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.269 3.468 1.002 1.00 12.02 C ATOM 0 H ALA A 114 -7.383 4.717 0.617 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.774 4.389 -0.852 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.313 3.778 0.953 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.172 2.458 0.604 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.935 3.483 2.039 1.00 12.02 H new ATOM 1930 N SER A 115 -10.752 6.385 0.603 1.00 54.31 N ATOM 1931 CA SER A 115 -11.014 7.749 1.027 1.00 61.52 C ATOM 1932 C SER A 115 -11.424 7.770 2.501 1.00 53.55 C ATOM 1933 O SER A 115 -12.184 8.639 2.925 1.00 63.34 O ATOM 1934 CB SER A 115 -12.100 8.396 0.165 1.00 1.23 C ATOM 1935 OG SER A 115 -12.195 7.786 -1.120 1.00 60.44 O ATOM 0 H SER A 115 -11.572 5.877 0.272 1.00 54.31 H new ATOM 0 HA SER A 115 -10.098 8.327 0.903 1.00 61.52 H new ATOM 0 HB2 SER A 115 -13.061 8.320 0.674 1.00 1.23 H new ATOM 0 HB3 SER A 115 -11.885 9.458 0.047 1.00 1.23 H new ATOM 0 HG SER A 115 -12.437 8.463 -1.786 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.903 6.802 3.240 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.204 6.698 4.657 1.00 53.23 C ATOM 1943 C GLN A 116 -10.024 6.078 5.408 1.00 50.42 C ATOM 1944 O GLN A 116 -9.496 5.046 4.996 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.485 5.892 4.888 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.184 4.393 4.953 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.471 3.572 4.846 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.473 4.037 5.586 1.00 62.34 O flip ATOM 1949 NE2 GLN A 116 -13.548 2.580 4.138 1.00 55.11 N flip ATOM 0 H GLN A 116 -10.274 6.082 2.884 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.370 7.702 5.047 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.958 6.212 5.816 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -13.194 6.090 4.084 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -11.505 4.119 4.145 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.676 4.160 5.889 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -12.740 2.277 3.595 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -14.421 2.054 4.090 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.645 6.733 6.495 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.537 6.259 7.307 1.00 34.21 C ATOM 1960 C GLU A 117 -9.035 5.835 8.689 1.00 42.32 C ATOM 1961 O GLU A 117 -8.290 5.237 9.465 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.445 7.324 7.420 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.697 7.204 8.750 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.468 8.114 8.771 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.606 8.013 7.886 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.426 8.951 9.752 1.00 14.44 O ATOM 0 H GLU A 117 -10.086 7.589 6.833 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.100 5.389 6.818 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.743 7.219 6.593 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.889 8.316 7.337 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.363 7.468 9.571 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.391 6.170 8.907 1.00 44.23 H new ATOM 1974 N THR A 118 -10.291 6.161 8.957 1.00 32.30 N ATOM 1975 CA THR A 118 -10.898 5.822 10.233 1.00 34.24 C ATOM 1976 C THR A 118 -12.225 5.093 10.016 1.00 33.31 C ATOM 1977 O THR A 118 -13.293 5.661 10.237 1.00 43.32 O ATOM 1978 CB THR A 118 -11.037 7.108 11.048 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.798 7.971 10.206 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.704 7.840 11.222 1.00 11.22 C ATOM 0 H THR A 118 -10.906 6.657 8.311 1.00 32.30 H new ATOM 0 HA THR A 118 -10.272 5.130 10.797 1.00 34.24 H new ATOM 0 HB THR A 118 -11.452 6.873 12.028 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.639 7.531 9.961 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.860 8.746 11.808 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.997 7.191 11.739 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.304 8.105 10.243 1.00 11.22 H new ATOM 1988 N PHE A 119 -12.114 3.845 9.585 1.00 75.13 N ATOM 1989 CA PHE A 119 -13.293 3.032 9.334 1.00 65.24 C ATOM 1990 C PHE A 119 -13.448 1.949 10.404 1.00 62.50 C ATOM 1991 O PHE A 119 -14.566 1.602 10.783 1.00 23.21 O ATOM 1992 CB PHE A 119 -13.095 2.363 7.973 1.00 51.32 C ATOM 1993 CG PHE A 119 -11.789 1.574 7.852 1.00 24.22 C ATOM 1994 CD1 PHE A 119 -10.634 2.214 7.530 1.00 71.14 C ATOM 1995 CD2 PHE A 119 -11.785 0.230 8.066 1.00 35.43 C ATOM 1996 CE1 PHE A 119 -9.424 1.481 7.418 1.00 72.22 C ATOM 1997 CE2 PHE A 119 -10.574 -0.503 7.954 1.00 64.44 C ATOM 1998 CZ PHE A 119 -9.419 0.138 7.632 1.00 71.41 C ATOM 0 H PHE A 119 -11.226 3.377 9.403 1.00 75.13 H new ATOM 0 HA PHE A 119 -14.187 3.656 9.353 1.00 65.24 H new ATOM 0 HB2 PHE A 119 -13.932 1.691 7.785 1.00 51.32 H new ATOM 0 HB3 PHE A 119 -13.119 3.128 7.197 1.00 51.32 H new ATOM 0 HD1 PHE A 119 -10.637 3.280 7.359 1.00 71.14 H new ATOM 0 HD2 PHE A 119 -12.703 -0.279 8.321 1.00 35.43 H new ATOM 0 HE1 PHE A 119 -8.506 1.990 7.163 1.00 72.22 H new ATOM 0 HE2 PHE A 119 -10.570 -1.569 8.125 1.00 64.44 H new ATOM 0 HZ PHE A 119 -8.498 -0.419 7.546 1.00 71.41 H new ATOM 2008 N GLY A 120 -12.312 1.445 10.860 1.00 23.42 N ATOM 2009 CA GLY A 120 -12.308 0.408 11.878 1.00 75.54 C ATOM 2010 C GLY A 120 -11.663 -0.876 11.351 1.00 62.20 C ATOM 2011 O GLY A 120 -12.243 -1.956 11.461 1.00 22.03 O ATOM 0 H GLY A 120 -11.387 1.735 10.543 1.00 23.42 H new ATOM 0 HA2 GLY A 120 -11.765 0.758 12.756 1.00 75.54 H new ATOM 0 HA3 GLY A 120 -13.330 0.202 12.196 1.00 75.54 H new TER 2015 GLY A 120 ATOM 2016 N MET B 331 2.056 -0.898 -22.274 1.00 41.43 N ATOM 2017 CA MET B 331 1.634 -2.229 -21.870 1.00 14.21 C ATOM 2018 C MET B 331 2.295 -3.301 -22.738 1.00 62.23 C ATOM 2019 O MET B 331 2.254 -3.223 -23.966 1.00 54.13 O ATOM 2020 CB MET B 331 0.112 -2.341 -21.989 1.00 42.31 C ATOM 2021 CG MET B 331 -0.582 -1.632 -20.825 1.00 43.21 C ATOM 2022 SD MET B 331 -2.354 -1.767 -20.998 1.00 31.54 S ATOM 2023 CE MET B 331 -2.755 -2.584 -19.463 1.00 4.21 C ATOM 0 HA MET B 331 1.939 -2.388 -20.836 1.00 14.21 H new ATOM 0 HB2 MET B 331 -0.216 -1.905 -22.933 1.00 42.31 H new ATOM 0 HB3 MET B 331 -0.179 -3.391 -22.005 1.00 42.31 H new ATOM 0 HG2 MET B 331 -0.266 -2.073 -19.879 1.00 43.21 H new ATOM 0 HG3 MET B 331 -0.289 -0.582 -20.801 1.00 43.21 H new ATOM 0 HE1 MET B 331 -3.831 -2.746 -19.408 1.00 4.21 H new ATOM 0 HE2 MET B 331 -2.241 -3.544 -19.416 1.00 4.21 H new ATOM 0 HE3 MET B 331 -2.438 -1.962 -18.626 1.00 4.21 H new ATOM 2034 N SER B 332 2.889 -4.277 -22.068 1.00 34.14 N ATOM 2035 CA SER B 332 3.558 -5.363 -22.763 1.00 51.00 C ATOM 2036 C SER B 332 3.323 -6.681 -22.024 1.00 31.33 C ATOM 2037 O SER B 332 3.426 -6.737 -20.800 1.00 65.52 O ATOM 2038 CB SER B 332 5.057 -5.090 -22.898 1.00 43.13 C ATOM 2039 OG SER B 332 5.749 -5.287 -21.668 1.00 61.41 O ATOM 0 H SER B 332 2.921 -4.338 -21.050 1.00 34.14 H new ATOM 0 HA SER B 332 3.138 -5.437 -23.766 1.00 51.00 H new ATOM 0 HB2 SER B 332 5.478 -5.746 -23.660 1.00 43.13 H new ATOM 0 HB3 SER B 332 5.210 -4.066 -23.240 1.00 43.13 H new ATOM 0 HG SER B 332 6.703 -5.104 -21.797 1.00 61.41 H new ATOM 2045 N GLY B 333 3.012 -7.711 -22.799 1.00 3.32 N ATOM 2046 CA GLY B 333 2.761 -9.025 -22.232 1.00 43.01 C ATOM 2047 C GLY B 333 3.874 -9.425 -21.262 1.00 10.30 C ATOM 2048 O GLY B 333 5.010 -9.652 -21.675 1.00 23.54 O ATOM 0 H GLY B 333 2.928 -7.661 -23.814 1.00 3.32 H new ATOM 0 HA2 GLY B 333 1.803 -9.024 -21.712 1.00 43.01 H new ATOM 0 HA3 GLY B 333 2.688 -9.762 -23.032 1.00 43.01 H new ATOM 2052 N GLY B 334 3.509 -9.501 -19.991 1.00 31.32 N ATOM 2053 CA GLY B 334 4.463 -9.869 -18.958 1.00 53.43 C ATOM 2054 C GLY B 334 5.022 -8.629 -18.259 1.00 13.31 C ATOM 2055 O GLY B 334 5.808 -7.884 -18.842 1.00 50.55 O ATOM 0 H GLY B 334 2.565 -9.314 -19.652 1.00 31.32 H new ATOM 0 HA2 GLY B 334 3.980 -10.516 -18.226 1.00 53.43 H new ATOM 0 HA3 GLY B 334 5.279 -10.441 -19.399 1.00 53.43 H new ATOM 2059 N ASP B 335 4.592 -8.445 -17.019 1.00 5.13 N ATOM 2060 CA ASP B 335 5.039 -7.308 -16.233 1.00 5.01 C ATOM 2061 C ASP B 335 6.291 -7.699 -15.444 1.00 71.13 C ATOM 2062 O ASP B 335 6.254 -7.780 -14.216 1.00 10.34 O ATOM 2063 CB ASP B 335 3.966 -6.872 -15.233 1.00 53.42 C ATOM 2064 CG ASP B 335 2.527 -6.974 -15.744 1.00 1.34 C ATOM 2065 OD1 ASP B 335 1.581 -7.132 -14.960 1.00 41.32 O ATOM 2066 OD2 ASP B 335 2.395 -6.882 -17.025 1.00 4.34 O ATOM 0 H ASP B 335 3.939 -9.065 -16.540 1.00 5.13 H new ATOM 0 HA ASP B 335 5.247 -6.486 -16.918 1.00 5.01 H new ATOM 0 HB2 ASP B 335 4.060 -7.480 -14.333 1.00 53.42 H new ATOM 0 HB3 ASP B 335 4.160 -5.840 -14.942 1.00 53.42 H new ATOM 2072 N ASP B 336 7.368 -7.930 -16.180 1.00 54.12 N ATOM 2073 CA ASP B 336 8.627 -8.311 -15.564 1.00 73.32 C ATOM 2074 C ASP B 336 9.126 -7.163 -14.682 1.00 13.01 C ATOM 2075 O ASP B 336 9.843 -7.390 -13.709 1.00 45.13 O ATOM 2076 CB ASP B 336 9.696 -8.592 -16.622 1.00 42.24 C ATOM 2077 CG ASP B 336 9.256 -9.527 -17.751 1.00 61.12 C ATOM 2078 OD1 ASP B 336 9.063 -10.734 -17.541 1.00 34.03 O ATOM 2079 OD2 ASP B 336 9.111 -8.962 -18.902 1.00 11.32 O ATOM 0 H ASP B 336 7.395 -7.861 -17.197 1.00 54.12 H new ATOM 0 HA ASP B 336 8.455 -9.213 -14.976 1.00 73.32 H new ATOM 0 HB2 ASP B 336 10.013 -7.644 -17.058 1.00 42.24 H new ATOM 0 HB3 ASP B 336 10.568 -9.025 -16.131 1.00 42.24 H new ATOM 2085 N ASP B 337 8.726 -5.956 -15.055 1.00 34.41 N ATOM 2086 CA ASP B 337 9.124 -4.773 -14.311 1.00 41.12 C ATOM 2087 C ASP B 337 7.890 -3.912 -14.035 1.00 44.23 C ATOM 2088 O ASP B 337 7.332 -3.310 -14.950 1.00 22.34 O ATOM 2089 CB ASP B 337 10.121 -3.930 -15.108 1.00 74.41 C ATOM 2090 CG ASP B 337 9.609 -3.429 -16.460 1.00 74.24 C ATOM 2091 OD1 ASP B 337 8.984 -2.362 -16.550 1.00 11.21 O ATOM 2092 OD2 ASP B 337 9.877 -4.195 -17.463 1.00 24.22 O ATOM 0 H ASP B 337 8.131 -5.772 -15.862 1.00 34.41 H new ATOM 0 HA ASP B 337 9.591 -5.100 -13.382 1.00 41.12 H new ATOM 0 HB2 ASP B 337 10.410 -3.070 -14.505 1.00 74.41 H new ATOM 0 HB3 ASP B 337 11.022 -4.520 -15.274 1.00 74.41 H new ATOM 2098 N TRP B 338 7.501 -3.880 -12.769 1.00 31.21 N ATOM 2099 CA TRP B 338 6.344 -3.102 -12.360 1.00 33.50 C ATOM 2100 C TRP B 338 6.630 -1.631 -12.671 1.00 43.13 C ATOM 2101 O TRP B 338 7.417 -1.323 -13.563 1.00 24.04 O ATOM 2102 CB TRP B 338 6.008 -3.349 -10.888 1.00 13.13 C ATOM 2103 CG TRP B 338 6.313 -4.770 -10.410 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.462 -5.876 -11.153 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.500 -5.196 -9.045 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.731 -6.979 -10.368 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.755 -6.553 -9.045 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.455 -4.460 -7.847 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.985 -7.291 -7.877 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.688 -5.212 -6.689 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.946 -6.578 -6.674 1.00 22.23 C ATOM 0 H TRP B 338 7.967 -4.381 -12.012 1.00 31.21 H new ATOM 0 HA TRP B 338 5.457 -3.409 -12.915 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.567 -2.643 -10.275 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.950 -3.142 -10.728 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.382 -5.901 -12.230 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.884 -7.932 -10.698 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.256 -3.399 -7.822 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.182 -8.353 -7.904 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.666 -4.695 -5.741 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.116 -7.087 -5.737 1.00 22.23 H new ATOM 2122 N THR B 339 5.975 -0.762 -11.915 1.00 11.15 N ATOM 2123 CA THR B 339 6.148 0.669 -12.098 1.00 63.24 C ATOM 2124 C THR B 339 7.204 1.206 -11.128 1.00 75.25 C ATOM 2125 O THR B 339 7.318 0.727 -10.002 1.00 55.55 O ATOM 2126 CB THR B 339 4.781 1.336 -11.936 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.930 2.595 -12.587 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.475 1.702 -10.482 1.00 73.05 C ATOM 0 H THR B 339 5.323 -1.022 -11.174 1.00 11.15 H new ATOM 0 HA THR B 339 6.521 0.898 -13.096 1.00 63.24 H new ATOM 0 HB THR B 339 4.005 0.669 -12.312 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.471 3.288 -12.068 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.493 2.172 -10.424 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.482 0.800 -9.870 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.232 2.395 -10.114 1.00 73.05 H new ATOM 2136 N HIS B 340 7.949 2.193 -11.603 1.00 23.10 N ATOM 2137 CA HIS B 340 8.992 2.800 -10.794 1.00 53.35 C ATOM 2138 C HIS B 340 8.442 4.049 -10.101 1.00 55.35 C ATOM 2139 O HIS B 340 7.941 4.959 -10.759 1.00 75.31 O ATOM 2140 CB HIS B 340 10.235 3.089 -11.637 1.00 52.13 C ATOM 2141 CG HIS B 340 9.962 3.195 -13.118 1.00 4.34 C ATOM 2142 ND1 HIS B 340 10.153 2.140 -13.992 1.00 2.03 N ATOM 2143 CD2 HIS B 340 9.511 4.241 -13.868 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.828 2.544 -15.212 1.00 52.42 C ATOM 2145 NE2 HIS B 340 9.431 3.847 -15.132 1.00 32.50 N ATOM 0 H HIS B 340 7.851 2.588 -12.538 1.00 23.10 H new ATOM 0 HA HIS B 340 9.306 2.103 -10.017 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.686 4.020 -11.294 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.967 2.299 -11.469 1.00 52.13 H new ATOM 0 HD2 HIS B 340 9.261 5.224 -13.496 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.870 1.947 -16.111 1.00 52.42 H new ATOM 0 HE2 HIS B 340 9.123 4.423 -15.915 1.00 32.50 H new ATOM 2153 N LEU B 341 8.553 4.052 -8.780 1.00 42.45 N ATOM 2154 CA LEU B 341 8.074 5.173 -7.991 1.00 42.21 C ATOM 2155 C LEU B 341 9.207 6.185 -7.810 1.00 60.12 C ATOM 2156 O LEU B 341 10.265 5.850 -7.282 1.00 1.40 O ATOM 2157 CB LEU B 341 7.472 4.682 -6.673 1.00 45.14 C ATOM 2158 CG LEU B 341 6.140 3.936 -6.780 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.401 3.937 -5.441 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.281 4.507 -7.910 1.00 55.44 C ATOM 0 H LEU B 341 8.968 3.295 -8.237 1.00 42.45 H new ATOM 0 HA LEU B 341 7.266 5.688 -8.512 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.195 4.026 -6.188 1.00 45.14 H new ATOM 0 HB3 LEU B 341 7.332 5.542 -6.018 1.00 45.14 H new ATOM 0 HG LEU B 341 6.350 2.896 -7.030 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.458 3.400 -5.545 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.016 3.447 -4.686 1.00 65.35 H new ATOM 0 HD13 LEU B 341 5.202 4.964 -5.136 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.340 3.959 -7.964 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.077 5.560 -7.715 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.813 4.409 -8.856 1.00 55.44 H new ATOM 2172 N SER B 342 8.945 7.405 -8.260 1.00 53.43 N ATOM 2173 CA SER B 342 9.930 8.468 -8.154 1.00 62.22 C ATOM 2174 C SER B 342 9.480 9.496 -7.114 1.00 15.10 C ATOM 2175 O SER B 342 8.355 9.991 -7.172 1.00 21.54 O ATOM 2176 CB SER B 342 10.154 9.145 -9.507 1.00 33.03 C ATOM 2177 OG SER B 342 9.885 8.266 -10.596 1.00 21.10 O ATOM 0 H SER B 342 8.066 7.680 -8.698 1.00 53.43 H new ATOM 0 HA SER B 342 10.876 8.029 -7.836 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.513 10.023 -9.583 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.184 9.496 -9.570 1.00 33.03 H new ATOM 0 HG SER B 342 10.038 8.737 -11.442 1.00 21.10 H new ATOM 2183 N SER B 343 10.381 9.786 -6.188 1.00 0.25 N ATOM 2184 CA SER B 343 10.091 10.747 -5.136 1.00 53.03 C ATOM 2185 C SER B 343 10.415 12.163 -5.617 1.00 5.52 C ATOM 2186 O SER B 343 10.467 13.096 -4.818 1.00 30.55 O ATOM 2187 CB SER B 343 10.878 10.425 -3.864 1.00 24.32 C ATOM 2188 OG SER B 343 11.367 9.086 -3.863 1.00 14.53 O ATOM 0 H SER B 343 11.313 9.373 -6.143 1.00 0.25 H new ATOM 0 HA SER B 343 9.029 10.685 -4.899 1.00 53.03 H new ATOM 0 HB2 SER B 343 11.715 11.117 -3.771 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.239 10.578 -2.994 1.00 24.32 H new ATOM 0 HG SER B 343 10.781 8.524 -3.314 1.00 14.53 H new ATOM 2194 N LYS B 344 10.623 12.277 -6.920 1.00 41.31 N ATOM 2195 CA LYS B 344 10.941 13.563 -7.517 1.00 25.42 C ATOM 2196 C LYS B 344 9.698 14.115 -8.219 1.00 71.41 C ATOM 2197 O LYS B 344 9.550 15.328 -8.365 1.00 5.30 O ATOM 2198 CB LYS B 344 12.162 13.444 -8.431 1.00 31.02 C ATOM 2199 CG LYS B 344 12.136 12.126 -9.209 1.00 5.42 C ATOM 2200 CD LYS B 344 12.850 11.018 -8.434 1.00 64.43 C ATOM 2201 CE LYS B 344 13.812 10.247 -9.341 1.00 14.43 C ATOM 2202 NZ LYS B 344 15.048 9.896 -8.606 1.00 22.20 N ATOM 0 H LYS B 344 10.578 11.500 -7.579 1.00 41.31 H new ATOM 0 HA LYS B 344 11.219 14.282 -6.746 1.00 25.42 H new ATOM 0 HB2 LYS B 344 12.183 14.282 -9.128 1.00 31.02 H new ATOM 0 HB3 LYS B 344 13.074 13.502 -7.836 1.00 31.02 H new ATOM 0 HG2 LYS B 344 11.104 11.833 -9.401 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.614 12.263 -10.179 1.00 5.42 H new ATOM 0 HD2 LYS B 344 13.400 11.450 -7.598 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.115 10.333 -8.012 1.00 64.43 H new ATOM 0 HE2 LYS B 344 13.329 9.341 -9.706 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.060 10.850 -10.214 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 15.690 9.373 -9.236 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 15.516 10.765 -8.279 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 14.808 9.302 -7.786 1.00 22.20 H new ATOM 2215 N GLU B 345 8.837 13.199 -8.635 1.00 53.15 N ATOM 2216 CA GLU B 345 7.611 13.580 -9.318 1.00 4.44 C ATOM 2217 C GLU B 345 6.545 13.996 -8.303 1.00 23.22 C ATOM 2218 O GLU B 345 5.434 14.364 -8.681 1.00 21.12 O ATOM 2219 CB GLU B 345 7.106 12.444 -10.210 1.00 53.02 C ATOM 2220 CG GLU B 345 8.242 11.862 -11.053 1.00 14.22 C ATOM 2221 CD GLU B 345 8.354 12.585 -12.397 1.00 0.42 C ATOM 2222 OE1 GLU B 345 7.661 12.220 -13.357 1.00 61.52 O ATOM 2223 OE2 GLU B 345 9.198 13.560 -12.421 1.00 24.43 O ATOM 0 H GLU B 345 8.963 12.194 -8.513 1.00 53.15 H new ATOM 0 HA GLU B 345 7.826 14.434 -9.960 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.668 11.660 -9.593 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.316 12.814 -10.864 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.183 11.948 -10.510 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.067 10.799 -11.221 1.00 14.22 H new ATOM 2231 N VAL B 346 6.920 13.924 -7.034 1.00 4.42 N ATOM 2232 CA VAL B 346 6.010 14.288 -5.962 1.00 33.24 C ATOM 2233 C VAL B 346 5.976 15.812 -5.824 1.00 64.22 C ATOM 2234 O VAL B 346 6.898 16.499 -6.262 1.00 4.44 O ATOM 2235 CB VAL B 346 6.415 13.579 -4.668 1.00 73.12 C ATOM 2236 CG1 VAL B 346 7.024 12.208 -4.963 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.376 14.442 -3.847 1.00 13.23 C ATOM 0 H VAL B 346 7.843 13.619 -6.724 1.00 4.42 H new ATOM 0 HA VAL B 346 4.997 13.959 -6.193 1.00 33.24 H new ATOM 0 HB VAL B 346 5.514 13.425 -4.074 1.00 73.12 H new ATOM 0 HG11 VAL B 346 7.303 11.725 -4.027 1.00 34.11 H new ATOM 0 HG12 VAL B 346 6.294 11.591 -5.486 1.00 34.11 H new ATOM 0 HG13 VAL B 346 7.910 12.330 -5.587 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.648 13.915 -2.933 1.00 13.23 H new ATOM 0 HG22 VAL B 346 8.274 14.643 -4.431 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.891 15.384 -3.592 1.00 13.23 H new ATOM 2247 N ASP B 347 4.904 16.295 -5.214 1.00 64.45 N ATOM 2248 CA ASP B 347 4.739 17.724 -5.012 1.00 13.23 C ATOM 2249 C ASP B 347 5.654 18.185 -3.876 1.00 41.10 C ATOM 2250 O ASP B 347 5.973 19.367 -3.773 1.00 60.02 O ATOM 2251 CB ASP B 347 3.298 18.062 -4.623 1.00 11.14 C ATOM 2252 CG ASP B 347 2.848 19.481 -4.979 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.360 19.737 -6.090 1.00 44.22 O ATOM 2254 OD2 ASP B 347 3.017 20.356 -4.046 1.00 54.24 O ATOM 0 H ASP B 347 4.141 15.722 -4.853 1.00 64.45 H new ATOM 0 HA ASP B 347 4.989 18.227 -5.946 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.630 17.352 -5.111 1.00 11.14 H new ATOM 0 HB3 ASP B 347 3.185 17.920 -3.548 1.00 11.14 H new TER 2260 ASP B 347