USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.147) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.667 K(o=-0.67,f=-1.7) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.0036) USER MOD Single : A 8 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.2) USER MOD Single : A 9 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.062) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -94:sc= 1.27 USER MOD Single : A 24 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.72) USER MOD Single : A 32 SER OG : rot -77:sc= 1.19 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.674 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -36:sc= 0.798 USER MOD Single : A 46 GLN :FLIP amide:sc= -3.82! C(o=-5.9!,f=-3.8!) USER MOD Single : A 51 CYS SG : rot 160:sc= -0.855 USER MOD Single : A 55 TYR OH : rot 18:sc= 0.422 USER MOD Single : A 57 ASN : amide:sc= -3.68 K(o=-3.7,f=-8.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 62 CYS SG : rot 3:sc= 0.0626 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.255 F(o=-1.5,f=-0.26) USER MOD Single : A 85 TYR OH : rot -30:sc= 1.19 USER MOD Single : A 88 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.2!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0225 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.05 K(o=-2,f=-3.7!) USER MOD Single : A 94 LYS NZ :NH3+ -110:sc= -0.0457 (180deg=-2.05!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 47:sc= 0.703 USER MOD Single : A 103 SER OG : rot -54:sc= 0.665 USER MOD Single : A 104 SER OG : rot 180:sc= 0.00459 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.093 -23.116 -15.191 1.00 64.12 N ATOM 2 CA MET A 1 -15.534 -22.593 -16.433 1.00 20.23 C ATOM 3 C MET A 1 -14.018 -22.762 -16.460 1.00 52.42 C ATOM 4 O MET A 1 -13.339 -22.516 -15.464 1.00 20.42 O ATOM 5 CB MET A 1 -15.898 -21.116 -16.598 1.00 62.45 C ATOM 6 CG MET A 1 -17.392 -20.846 -16.520 1.00 25.02 C ATOM 7 SD MET A 1 -17.928 -19.570 -17.675 1.00 73.23 S ATOM 8 CE MET A 1 -17.854 -18.116 -16.632 1.00 51.13 C ATOM 0 H1 MET A 1 -17.122 -23.227 -15.293 1.00 64.12 H new ATOM 0 H2 MET A 1 -15.665 -24.040 -14.979 1.00 64.12 H new ATOM 0 H3 MET A 1 -15.891 -22.455 -14.414 1.00 64.12 H new ATOM 0 HA MET A 1 -15.959 -23.159 -17.262 1.00 20.23 H new ATOM 0 HB2 MET A 1 -15.392 -20.537 -15.826 1.00 62.45 H new ATOM 0 HB3 MET A 1 -15.523 -20.763 -17.559 1.00 62.45 H new ATOM 0 HG2 MET A 1 -17.935 -21.768 -16.726 1.00 25.02 H new ATOM 0 HG3 MET A 1 -17.650 -20.544 -15.505 1.00 25.02 H new ATOM 0 HE1 MET A 1 -18.158 -17.241 -17.206 1.00 51.13 H new ATOM 0 HE2 MET A 1 -18.524 -18.244 -15.782 1.00 51.13 H new ATOM 0 HE3 MET A 1 -16.834 -17.978 -16.273 1.00 51.13 H new ATOM 18 N ALA A 2 -13.495 -23.182 -17.607 1.00 43.12 N ATOM 19 CA ALA A 2 -12.059 -23.381 -17.764 1.00 73.32 C ATOM 20 C ALA A 2 -11.607 -23.028 -19.177 1.00 53.20 C ATOM 21 O ALA A 2 -12.421 -22.677 -20.030 1.00 52.02 O ATOM 22 CB ALA A 2 -11.687 -24.819 -17.433 1.00 2.21 C ATOM 0 H ALA A 2 -14.044 -23.391 -18.441 1.00 43.12 H new ATOM 0 HA ALA A 2 -11.547 -22.715 -17.070 1.00 73.32 H new ATOM 0 HB1 ALA A 2 -10.612 -24.954 -17.554 1.00 2.21 H new ATOM 0 HB2 ALA A 2 -11.966 -25.039 -16.403 1.00 2.21 H new ATOM 0 HB3 ALA A 2 -12.216 -25.495 -18.105 1.00 2.21 H new ATOM 28 N GLY A 3 -10.303 -23.122 -19.417 1.00 61.13 N ATOM 29 CA GLY A 3 -9.765 -22.808 -20.728 1.00 54.02 C ATOM 30 C GLY A 3 -8.416 -23.455 -20.972 1.00 14.21 C ATOM 31 O GLY A 3 -7.411 -23.047 -20.391 1.00 2.21 O ATOM 0 H GLY A 3 -9.609 -23.410 -18.727 1.00 61.13 H new ATOM 0 HA2 GLY A 3 -10.467 -23.139 -21.494 1.00 54.02 H new ATOM 0 HA3 GLY A 3 -9.669 -21.727 -20.829 1.00 54.02 H new ATOM 35 N SER A 4 -8.394 -24.468 -21.832 1.00 52.44 N ATOM 36 CA SER A 4 -7.159 -25.176 -22.147 1.00 72.14 C ATOM 37 C SER A 4 -6.213 -24.288 -22.950 1.00 73.34 C ATOM 38 O SER A 4 -6.588 -23.201 -23.390 1.00 44.34 O ATOM 39 CB SER A 4 -7.465 -26.454 -22.931 1.00 32.25 C ATOM 40 OG SER A 4 -8.535 -27.171 -22.339 1.00 24.34 O ATOM 0 H SER A 4 -9.217 -24.817 -22.323 1.00 52.44 H new ATOM 0 HA SER A 4 -6.672 -25.441 -21.209 1.00 72.14 H new ATOM 0 HB2 SER A 4 -7.718 -26.201 -23.961 1.00 32.25 H new ATOM 0 HB3 SER A 4 -6.576 -27.084 -22.967 1.00 32.25 H new ATOM 0 HG SER A 4 -8.712 -27.982 -22.859 1.00 24.34 H new ATOM 46 N HIS A 5 -4.985 -24.760 -23.138 1.00 22.25 N ATOM 47 CA HIS A 5 -3.984 -24.010 -23.888 1.00 62.41 C ATOM 48 C HIS A 5 -3.311 -24.897 -24.932 1.00 3.33 C ATOM 49 O HIS A 5 -3.107 -24.484 -26.074 1.00 14.31 O ATOM 50 CB HIS A 5 -2.933 -23.431 -22.940 1.00 54.22 C ATOM 51 CG HIS A 5 -2.320 -24.450 -22.030 1.00 70.35 C ATOM 52 ND1 HIS A 5 -1.111 -25.060 -22.290 1.00 3.20 N ATOM 53 CD2 HIS A 5 -2.755 -24.965 -20.857 1.00 31.52 C ATOM 54 CE1 HIS A 5 -0.829 -25.907 -21.316 1.00 73.12 C ATOM 55 NE2 HIS A 5 -1.811 -25.868 -20.434 1.00 31.54 N ATOM 0 H HIS A 5 -4.659 -25.658 -22.781 1.00 22.25 H new ATOM 0 HA HIS A 5 -4.488 -23.192 -24.402 1.00 62.41 H new ATOM 0 HB2 HIS A 5 -2.145 -22.961 -23.528 1.00 54.22 H new ATOM 0 HB3 HIS A 5 -3.392 -22.647 -22.337 1.00 54.22 H new ATOM 0 HD2 HIS A 5 -3.674 -24.713 -20.348 1.00 31.52 H new ATOM 0 HE1 HIS A 5 0.054 -26.526 -21.252 1.00 73.12 H new ATOM 0 HE2 HIS A 5 -1.860 -26.419 -19.577 1.00 31.54 H new ATOM 63 N HIS A 6 -2.966 -26.117 -24.532 1.00 13.34 N ATOM 64 CA HIS A 6 -2.316 -27.061 -25.433 1.00 24.45 C ATOM 65 C HIS A 6 -2.991 -28.428 -25.367 1.00 23.14 C ATOM 66 O HIS A 6 -3.646 -28.855 -26.318 1.00 12.31 O ATOM 67 CB HIS A 6 -0.833 -27.194 -25.082 1.00 73.42 C ATOM 68 CG HIS A 6 0.083 -26.669 -26.144 1.00 73.04 C ATOM 69 ND1 HIS A 6 0.654 -27.471 -27.109 1.00 63.24 N ATOM 70 CD2 HIS A 6 0.524 -25.413 -26.391 1.00 60.51 C ATOM 71 CE1 HIS A 6 1.409 -26.732 -27.903 1.00 20.13 C ATOM 72 NE2 HIS A 6 1.347 -25.479 -27.489 1.00 32.44 N ATOM 0 H HIS A 6 -3.126 -26.474 -23.590 1.00 13.34 H new ATOM 0 HA HIS A 6 -2.409 -26.678 -26.449 1.00 24.45 H new ATOM 0 HB2 HIS A 6 -0.639 -26.661 -24.151 1.00 73.42 H new ATOM 0 HB3 HIS A 6 -0.603 -28.244 -24.902 1.00 73.42 H new ATOM 0 HD2 HIS A 6 0.275 -24.525 -25.829 1.00 60.51 H new ATOM 0 HE1 HIS A 6 1.980 -27.091 -28.747 1.00 20.13 H new ATOM 0 HE2 HIS A 6 1.831 -24.689 -27.915 1.00 32.44 H new ATOM 80 N HIS A 7 -2.825 -29.111 -24.238 1.00 14.40 N ATOM 81 CA HIS A 7 -3.419 -30.429 -24.048 1.00 62.53 C ATOM 82 C HIS A 7 -4.831 -30.314 -23.483 1.00 12.51 C ATOM 83 O HIS A 7 -5.130 -29.400 -22.714 1.00 2.55 O ATOM 84 CB HIS A 7 -2.551 -31.273 -23.114 1.00 63.02 C ATOM 85 CG HIS A 7 -2.214 -32.624 -23.666 1.00 52.15 C ATOM 86 ND1 HIS A 7 -2.301 -33.783 -22.925 1.00 21.12 N ATOM 87 CD2 HIS A 7 -1.790 -32.997 -24.897 1.00 13.14 C ATOM 88 CE1 HIS A 7 -1.943 -34.811 -23.674 1.00 52.53 C ATOM 89 NE2 HIS A 7 -1.629 -34.360 -24.876 1.00 30.53 N ATOM 0 H HIS A 7 -2.284 -28.773 -23.442 1.00 14.40 H new ATOM 0 HA HIS A 7 -3.475 -30.918 -25.021 1.00 62.53 H new ATOM 0 HB2 HIS A 7 -1.627 -30.734 -22.905 1.00 63.02 H new ATOM 0 HB3 HIS A 7 -3.069 -31.397 -22.163 1.00 63.02 H new ATOM 0 HD2 HIS A 7 -1.612 -32.344 -25.738 1.00 13.14 H new ATOM 0 HE1 HIS A 7 -1.912 -35.843 -23.358 1.00 52.53 H new ATOM 0 HE2 HIS A 7 -1.317 -34.932 -25.661 1.00 30.53 H new ATOM 97 N HIS A 8 -5.697 -31.245 -23.870 1.00 22.21 N ATOM 98 CA HIS A 8 -7.078 -31.247 -23.402 1.00 31.14 C ATOM 99 C HIS A 8 -7.137 -31.394 -21.884 1.00 51.41 C ATOM 100 O HIS A 8 -7.825 -30.633 -21.203 1.00 15.11 O ATOM 101 CB HIS A 8 -7.862 -32.379 -24.066 1.00 34.13 C ATOM 102 CG HIS A 8 -9.309 -32.414 -23.678 1.00 43.40 C ATOM 103 ND1 HIS A 8 -9.749 -32.867 -22.452 1.00 43.52 N ATOM 104 CD2 HIS A 8 -10.418 -32.046 -24.362 1.00 24.22 C ATOM 105 CE1 HIS A 8 -11.066 -32.778 -22.399 1.00 43.04 C ATOM 106 NE2 HIS A 8 -11.496 -32.283 -23.546 1.00 13.44 N ATOM 0 H HIS A 8 -5.467 -32.008 -24.507 1.00 22.21 H new ATOM 0 HA HIS A 8 -7.530 -30.293 -23.675 1.00 31.14 H new ATOM 0 HB2 HIS A 8 -7.787 -32.275 -25.148 1.00 34.13 H new ATOM 0 HB3 HIS A 8 -7.401 -33.331 -23.804 1.00 34.13 H new ATOM 0 HD2 HIS A 8 -10.449 -31.641 -25.363 1.00 24.22 H new ATOM 0 HE1 HIS A 8 -11.685 -33.062 -21.561 1.00 43.04 H new ATOM 0 HE2 HIS A 8 -12.471 -32.106 -23.786 1.00 13.44 H new ATOM 114 N HIS A 9 -6.411 -32.377 -21.361 1.00 15.35 N ATOM 115 CA HIS A 9 -6.382 -32.623 -19.923 1.00 44.12 C ATOM 116 C HIS A 9 -4.984 -32.383 -19.360 1.00 31.21 C ATOM 117 O HIS A 9 -3.998 -32.918 -19.868 1.00 74.52 O ATOM 118 CB HIS A 9 -6.828 -34.054 -19.620 1.00 43.41 C ATOM 119 CG HIS A 9 -7.732 -34.160 -18.431 1.00 10.20 C ATOM 120 ND1 HIS A 9 -8.508 -35.270 -18.172 1.00 51.14 N ATOM 121 CD2 HIS A 9 -7.980 -33.287 -17.427 1.00 12.13 C ATOM 122 CE1 HIS A 9 -9.196 -35.074 -17.062 1.00 22.55 C ATOM 123 NE2 HIS A 9 -8.893 -33.879 -16.589 1.00 12.20 N ATOM 0 H HIS A 9 -5.836 -33.015 -21.910 1.00 15.35 H new ATOM 0 HA HIS A 9 -7.072 -31.927 -19.446 1.00 44.12 H new ATOM 0 HB2 HIS A 9 -7.340 -34.459 -20.493 1.00 43.41 H new ATOM 0 HB3 HIS A 9 -5.947 -34.673 -19.452 1.00 43.41 H new ATOM 0 HD2 HIS A 9 -7.542 -32.307 -17.307 1.00 12.13 H new ATOM 0 HE1 HIS A 9 -9.889 -35.773 -16.617 1.00 22.55 H new ATOM 0 HE2 HIS A 9 -9.275 -33.463 -15.739 1.00 12.20 H new ATOM 131 N HIS A 10 -4.906 -31.575 -18.308 1.00 10.34 N ATOM 132 CA HIS A 10 -3.629 -31.264 -17.675 1.00 41.13 C ATOM 133 C HIS A 10 -3.029 -32.506 -17.024 1.00 24.11 C ATOM 134 O HIS A 10 -3.468 -32.934 -15.957 1.00 41.43 O ATOM 135 CB HIS A 10 -3.808 -30.162 -16.631 1.00 3.13 C ATOM 136 CG HIS A 10 -2.515 -29.578 -16.148 1.00 74.25 C ATOM 137 ND1 HIS A 10 -1.943 -28.454 -16.705 1.00 52.02 N ATOM 138 CD2 HIS A 10 -1.684 -29.969 -15.154 1.00 51.42 C ATOM 139 CE1 HIS A 10 -0.815 -28.179 -16.075 1.00 61.15 C ATOM 140 NE2 HIS A 10 -0.635 -29.083 -15.129 1.00 61.04 N ATOM 0 H HIS A 10 -5.712 -31.123 -17.876 1.00 10.34 H new ATOM 0 HA HIS A 10 -2.944 -30.914 -18.447 1.00 41.13 H new ATOM 0 HB2 HIS A 10 -4.420 -29.366 -17.056 1.00 3.13 H new ATOM 0 HB3 HIS A 10 -4.356 -30.565 -15.779 1.00 3.13 H new ATOM 0 HD2 HIS A 10 -1.820 -30.819 -14.502 1.00 51.42 H new ATOM 0 HE1 HIS A 10 -0.153 -27.355 -16.296 1.00 61.15 H new ATOM 0 HE2 HIS A 10 0.155 -29.117 -14.485 1.00 61.04 H new ATOM 148 N GLY A 11 -2.022 -33.082 -17.674 1.00 44.32 N ATOM 149 CA GLY A 11 -1.378 -34.270 -17.144 1.00 15.54 C ATOM 150 C GLY A 11 -2.219 -35.517 -17.331 1.00 51.21 C ATOM 151 O GLY A 11 -3.266 -35.668 -16.702 1.00 75.13 O ATOM 0 H GLY A 11 -1.641 -32.747 -18.559 1.00 44.32 H new ATOM 0 HA2 GLY A 11 -0.415 -34.408 -17.636 1.00 15.54 H new ATOM 0 HA3 GLY A 11 -1.176 -34.127 -16.082 1.00 15.54 H new ATOM 155 N SER A 12 -1.761 -36.412 -18.200 1.00 21.41 N ATOM 156 CA SER A 12 -2.481 -37.651 -18.473 1.00 10.32 C ATOM 157 C SER A 12 -1.900 -38.807 -17.665 1.00 5.33 C ATOM 158 O SER A 12 -2.542 -39.325 -16.752 1.00 71.54 O ATOM 159 CB SER A 12 -2.426 -37.979 -19.966 1.00 50.11 C ATOM 160 OG SER A 12 -3.367 -38.984 -20.302 1.00 64.13 O ATOM 0 H SER A 12 -0.895 -36.303 -18.727 1.00 21.41 H new ATOM 0 HA SER A 12 -3.521 -37.511 -18.177 1.00 10.32 H new ATOM 0 HB2 SER A 12 -2.627 -37.079 -20.547 1.00 50.11 H new ATOM 0 HB3 SER A 12 -1.423 -38.312 -20.232 1.00 50.11 H new ATOM 0 HG SER A 12 -3.313 -39.175 -21.262 1.00 64.13 H new ATOM 166 N MET A 13 -0.679 -39.205 -18.007 1.00 43.24 N ATOM 167 CA MET A 13 -0.009 -40.299 -17.313 1.00 51.35 C ATOM 168 C MET A 13 0.515 -39.842 -15.956 1.00 11.52 C ATOM 169 O MET A 13 1.631 -39.334 -15.850 1.00 2.32 O ATOM 170 CB MET A 13 1.143 -40.840 -18.162 1.00 1.10 C ATOM 171 CG MET A 13 0.716 -41.906 -19.158 1.00 30.13 C ATOM 172 SD MET A 13 0.877 -43.577 -18.498 1.00 53.44 S ATOM 173 CE MET A 13 1.295 -44.488 -19.983 1.00 15.42 C ATOM 0 H MET A 13 -0.133 -38.786 -18.760 1.00 43.24 H new ATOM 0 HA MET A 13 -0.737 -41.094 -17.152 1.00 51.35 H new ATOM 0 HB2 MET A 13 1.604 -40.013 -18.702 1.00 1.10 H new ATOM 0 HB3 MET A 13 1.905 -41.255 -17.503 1.00 1.10 H new ATOM 0 HG2 MET A 13 -0.320 -41.732 -19.448 1.00 30.13 H new ATOM 0 HG3 MET A 13 1.319 -41.816 -20.061 1.00 30.13 H new ATOM 0 HE1 MET A 13 1.427 -45.542 -19.738 1.00 15.42 H new ATOM 0 HE2 MET A 13 0.492 -44.383 -20.712 1.00 15.42 H new ATOM 0 HE3 MET A 13 2.221 -44.094 -20.403 1.00 15.42 H new ATOM 183 N SER A 14 -0.298 -40.025 -14.920 1.00 51.23 N ATOM 184 CA SER A 14 0.082 -39.627 -13.570 1.00 23.10 C ATOM 185 C SER A 14 -0.557 -40.545 -12.533 1.00 21.32 C ATOM 186 O SER A 14 -1.685 -41.006 -12.708 1.00 4.44 O ATOM 187 CB SER A 14 -0.330 -38.177 -13.307 1.00 62.33 C ATOM 188 OG SER A 14 -1.684 -38.098 -12.898 1.00 32.40 O ATOM 0 H SER A 14 -1.224 -40.446 -14.990 1.00 51.23 H new ATOM 0 HA SER A 14 1.166 -39.710 -13.485 1.00 23.10 H new ATOM 0 HB2 SER A 14 0.311 -37.747 -12.537 1.00 62.33 H new ATOM 0 HB3 SER A 14 -0.185 -37.585 -14.210 1.00 62.33 H new ATOM 0 HG SER A 14 -1.922 -37.162 -12.735 1.00 32.40 H new ATOM 194 N GLU A 15 0.173 -40.807 -11.453 1.00 0.31 N ATOM 195 CA GLU A 15 -0.322 -41.671 -10.388 1.00 12.43 C ATOM 196 C GLU A 15 -0.614 -40.865 -9.125 1.00 4.11 C ATOM 197 O GLU A 15 -0.612 -39.634 -9.147 1.00 3.23 O ATOM 198 CB GLU A 15 0.694 -42.772 -10.080 1.00 5.11 C ATOM 199 CG GLU A 15 0.115 -44.174 -10.160 1.00 24.41 C ATOM 200 CD GLU A 15 0.388 -44.990 -8.911 1.00 71.21 C ATOM 201 OE1 GLU A 15 1.527 -45.478 -8.759 1.00 64.41 O ATOM 202 OE2 GLU A 15 -0.537 -45.141 -8.086 1.00 55.34 O ATOM 0 H GLU A 15 1.109 -40.433 -11.293 1.00 0.31 H new ATOM 0 HA GLU A 15 -1.251 -42.129 -10.729 1.00 12.43 H new ATOM 0 HB2 GLU A 15 1.527 -42.692 -10.778 1.00 5.11 H new ATOM 0 HB3 GLU A 15 1.099 -42.612 -9.081 1.00 5.11 H new ATOM 0 HG2 GLU A 15 -0.961 -44.110 -10.320 1.00 24.41 H new ATOM 0 HG3 GLU A 15 0.535 -44.688 -11.024 1.00 24.41 H new ATOM 209 N TYR A 16 -0.864 -41.568 -8.026 1.00 72.34 N ATOM 210 CA TYR A 16 -1.161 -40.920 -6.755 1.00 5.24 C ATOM 211 C TYR A 16 -0.333 -41.528 -5.627 1.00 25.12 C ATOM 212 O TYR A 16 0.431 -42.470 -5.841 1.00 43.12 O ATOM 213 CB TYR A 16 -2.651 -41.041 -6.431 1.00 64.41 C ATOM 214 CG TYR A 16 -3.249 -42.372 -6.827 1.00 34.21 C ATOM 215 CD1 TYR A 16 -3.035 -43.509 -6.057 1.00 13.12 C ATOM 216 CD2 TYR A 16 -4.028 -42.493 -7.971 1.00 33.31 C ATOM 217 CE1 TYR A 16 -3.580 -44.727 -6.415 1.00 23.13 C ATOM 218 CE2 TYR A 16 -4.578 -43.707 -8.336 1.00 20.04 C ATOM 219 CZ TYR A 16 -4.351 -44.821 -7.555 1.00 3.04 C ATOM 220 OH TYR A 16 -4.895 -46.032 -7.915 1.00 72.13 O ATOM 0 H TYR A 16 -0.867 -42.587 -7.990 1.00 72.34 H new ATOM 0 HA TYR A 16 -0.901 -39.865 -6.845 1.00 5.24 H new ATOM 0 HB2 TYR A 16 -2.795 -40.891 -5.361 1.00 64.41 H new ATOM 0 HB3 TYR A 16 -3.191 -40.243 -6.940 1.00 64.41 H new ATOM 0 HD1 TYR A 16 -2.432 -43.439 -5.163 1.00 13.12 H new ATOM 0 HD2 TYR A 16 -4.207 -41.623 -8.586 1.00 33.31 H new ATOM 0 HE1 TYR A 16 -3.403 -45.601 -5.806 1.00 23.13 H new ATOM 0 HE2 TYR A 16 -5.182 -43.783 -9.228 1.00 20.04 H new ATOM 0 HH TYR A 16 -5.411 -45.926 -8.741 1.00 72.13 H new ATOM 230 N ILE A 17 -0.491 -40.983 -4.425 1.00 64.14 N ATOM 231 CA ILE A 17 0.240 -41.472 -3.263 1.00 63.40 C ATOM 232 C ILE A 17 -0.711 -42.037 -2.213 1.00 41.51 C ATOM 233 O ILE A 17 -1.631 -41.353 -1.763 1.00 62.20 O ATOM 234 CB ILE A 17 1.091 -40.359 -2.624 1.00 21.35 C ATOM 235 CG1 ILE A 17 1.602 -40.803 -1.251 1.00 45.23 C ATOM 236 CG2 ILE A 17 0.282 -39.077 -2.504 1.00 12.40 C ATOM 237 CD1 ILE A 17 2.581 -39.832 -0.629 1.00 25.33 C ATOM 0 H ILE A 17 -1.119 -40.203 -4.231 1.00 64.14 H new ATOM 0 HA ILE A 17 0.900 -42.265 -3.616 1.00 63.40 H new ATOM 0 HB ILE A 17 1.950 -40.165 -3.266 1.00 21.35 H new ATOM 0 HG12 ILE A 17 0.753 -40.930 -0.580 1.00 45.23 H new ATOM 0 HG13 ILE A 17 2.081 -41.777 -1.348 1.00 45.23 H new ATOM 0 HG21 ILE A 17 0.897 -38.300 -2.051 1.00 12.40 H new ATOM 0 HG22 ILE A 17 -0.038 -38.755 -3.495 1.00 12.40 H new ATOM 0 HG23 ILE A 17 -0.594 -39.256 -1.880 1.00 12.40 H new ATOM 0 HD11 ILE A 17 2.901 -40.210 0.342 1.00 25.33 H new ATOM 0 HD12 ILE A 17 3.448 -39.723 -1.280 1.00 25.33 H new ATOM 0 HD13 ILE A 17 2.100 -38.863 -0.500 1.00 25.33 H new ATOM 249 N ARG A 18 -0.482 -43.287 -1.826 1.00 24.02 N ATOM 250 CA ARG A 18 -1.318 -43.943 -0.828 1.00 23.21 C ATOM 251 C ARG A 18 -0.531 -44.205 0.453 1.00 32.02 C ATOM 252 O ARG A 18 0.311 -45.102 0.505 1.00 14.11 O ATOM 253 CB ARG A 18 -1.868 -45.260 -1.379 1.00 14.31 C ATOM 254 CG ARG A 18 -3.346 -45.202 -1.730 1.00 71.32 C ATOM 255 CD ARG A 18 -4.105 -46.381 -1.141 1.00 11.34 C ATOM 256 NE ARG A 18 -4.226 -47.484 -2.090 1.00 12.02 N ATOM 257 CZ ARG A 18 -5.062 -48.503 -1.929 1.00 34.52 C ATOM 258 NH1 ARG A 18 -5.847 -48.559 -0.862 1.00 33.33 N ATOM 259 NH2 ARG A 18 -5.115 -49.470 -2.837 1.00 10.32 N ATOM 0 H ARG A 18 0.276 -43.866 -2.188 1.00 24.02 H new ATOM 0 HA ARG A 18 -2.150 -43.279 -0.594 1.00 23.21 H new ATOM 0 HB2 ARG A 18 -1.302 -45.537 -2.269 1.00 14.31 H new ATOM 0 HB3 ARG A 18 -1.709 -46.047 -0.642 1.00 14.31 H new ATOM 0 HG2 ARG A 18 -3.773 -44.271 -1.358 1.00 71.32 H new ATOM 0 HG3 ARG A 18 -3.464 -45.197 -2.814 1.00 71.32 H new ATOM 0 HD2 ARG A 18 -3.593 -46.729 -0.244 1.00 11.34 H new ATOM 0 HD3 ARG A 18 -5.099 -46.056 -0.835 1.00 11.34 H new ATOM 0 HE ARG A 18 -3.636 -47.471 -2.922 1.00 12.02 H new ATOM 0 HH11 ARG A 18 -5.810 -47.818 -0.162 1.00 33.33 H new ATOM 0 HH12 ARG A 18 -6.488 -49.343 -0.741 1.00 33.33 H new ATOM 0 HH21 ARG A 18 -4.513 -49.431 -3.660 1.00 10.32 H new ATOM 0 HH22 ARG A 18 -5.758 -50.252 -2.712 1.00 10.32 H new ATOM 273 N VAL A 19 -0.811 -43.415 1.485 1.00 31.43 N ATOM 274 CA VAL A 19 -0.131 -43.562 2.766 1.00 2.25 C ATOM 275 C VAL A 19 -1.057 -43.208 3.924 1.00 12.23 C ATOM 276 O VAL A 19 -2.140 -42.658 3.722 1.00 14.43 O ATOM 277 CB VAL A 19 1.126 -42.674 2.839 1.00 20.32 C ATOM 278 CG1 VAL A 19 2.288 -43.333 2.112 1.00 70.24 C ATOM 279 CG2 VAL A 19 0.838 -41.296 2.264 1.00 44.14 C ATOM 0 H VAL A 19 -1.504 -42.667 1.459 1.00 31.43 H new ATOM 0 HA VAL A 19 0.166 -44.608 2.848 1.00 2.25 H new ATOM 0 HB VAL A 19 1.405 -42.554 3.886 1.00 20.32 H new ATOM 0 HG11 VAL A 19 3.167 -42.691 2.174 1.00 70.24 H new ATOM 0 HG12 VAL A 19 2.508 -44.295 2.574 1.00 70.24 H new ATOM 0 HG13 VAL A 19 2.023 -43.485 1.066 1.00 70.24 H new ATOM 0 HG21 VAL A 19 1.737 -40.682 2.323 1.00 44.14 H new ATOM 0 HG22 VAL A 19 0.533 -41.393 1.222 1.00 44.14 H new ATOM 0 HG23 VAL A 19 0.038 -40.824 2.834 1.00 44.14 H new ATOM 289 N THR A 20 -0.624 -43.527 5.140 1.00 14.43 N ATOM 290 CA THR A 20 -1.415 -43.243 6.332 1.00 63.25 C ATOM 291 C THR A 20 -0.520 -42.880 7.511 1.00 32.23 C ATOM 292 O THR A 20 0.480 -43.548 7.771 1.00 30.04 O ATOM 293 CB THR A 20 -2.295 -44.445 6.721 1.00 75.54 C ATOM 294 OG1 THR A 20 -2.574 -44.415 8.125 1.00 43.21 O ATOM 295 CG2 THR A 20 -1.611 -45.756 6.363 1.00 71.04 C ATOM 0 H THR A 20 0.270 -43.982 5.325 1.00 14.43 H new ATOM 0 HA THR A 20 -2.057 -42.395 6.092 1.00 63.25 H new ATOM 0 HB THR A 20 -3.229 -44.377 6.164 1.00 75.54 H new ATOM 0 HG1 THR A 20 -1.918 -44.966 8.601 1.00 43.21 H new ATOM 0 HG21 THR A 20 -2.252 -46.590 6.647 1.00 71.04 H new ATOM 0 HG22 THR A 20 -1.427 -45.789 5.289 1.00 71.04 H new ATOM 0 HG23 THR A 20 -0.663 -45.829 6.896 1.00 71.04 H new ATOM 303 N GLU A 21 -0.888 -41.818 8.222 1.00 65.50 N ATOM 304 CA GLU A 21 -0.117 -41.368 9.375 1.00 45.33 C ATOM 305 C GLU A 21 -0.223 -42.365 10.524 1.00 32.44 C ATOM 306 O GLU A 21 0.735 -42.575 11.269 1.00 35.40 O ATOM 307 CB GLU A 21 -0.601 -39.991 9.833 1.00 1.33 C ATOM 308 CG GLU A 21 0.440 -39.209 10.617 1.00 43.03 C ATOM 309 CD GLU A 21 0.062 -39.033 12.075 1.00 43.55 C ATOM 310 OE1 GLU A 21 0.005 -37.873 12.536 1.00 74.24 O ATOM 311 OE2 GLU A 21 -0.175 -40.053 12.754 1.00 13.31 O ATOM 0 H GLU A 21 -1.714 -41.254 8.020 1.00 65.50 H new ATOM 0 HA GLU A 21 0.929 -41.297 9.075 1.00 45.33 H new ATOM 0 HB2 GLU A 21 -0.897 -39.410 8.959 1.00 1.33 H new ATOM 0 HB3 GLU A 21 -1.491 -40.115 10.450 1.00 1.33 H new ATOM 0 HG2 GLU A 21 1.399 -39.723 10.554 1.00 43.03 H new ATOM 0 HG3 GLU A 21 0.573 -38.229 10.159 1.00 43.03 H new ATOM 318 N ASP A 22 -1.394 -42.977 10.663 1.00 55.35 N ATOM 319 CA ASP A 22 -1.627 -43.953 11.721 1.00 55.24 C ATOM 320 C ASP A 22 -1.365 -45.370 11.220 1.00 1.22 C ATOM 321 O ASP A 22 -1.244 -45.601 10.018 1.00 52.54 O ATOM 322 CB ASP A 22 -3.061 -43.840 12.241 1.00 12.13 C ATOM 323 CG ASP A 22 -3.131 -43.188 13.608 1.00 11.40 C ATOM 324 OD1 ASP A 22 -3.970 -43.617 14.428 1.00 3.44 O ATOM 325 OD2 ASP A 22 -2.347 -42.249 13.858 1.00 43.23 O ATOM 0 H ASP A 22 -2.197 -42.814 10.056 1.00 55.35 H new ATOM 0 HA ASP A 22 -0.935 -43.741 12.536 1.00 55.24 H new ATOM 0 HB2 ASP A 22 -3.656 -43.261 11.535 1.00 12.13 H new ATOM 0 HB3 ASP A 22 -3.505 -44.834 12.293 1.00 12.13 H new ATOM 330 N GLU A 23 -1.277 -46.314 12.152 1.00 62.13 N ATOM 331 CA GLU A 23 -1.026 -47.708 11.804 1.00 15.01 C ATOM 332 C GLU A 23 -2.336 -48.451 11.560 1.00 74.54 C ATOM 333 O GLU A 23 -2.415 -49.323 10.695 1.00 34.32 O ATOM 334 CB GLU A 23 -0.235 -48.400 12.916 1.00 44.33 C ATOM 335 CG GLU A 23 -0.995 -48.511 14.226 1.00 12.44 C ATOM 336 CD GLU A 23 -0.174 -49.158 15.324 1.00 31.34 C ATOM 337 OE1 GLU A 23 -0.355 -48.781 16.501 1.00 13.40 O ATOM 338 OE2 GLU A 23 0.649 -50.042 15.008 1.00 43.13 O ATOM 0 H GLU A 23 -1.376 -46.139 13.152 1.00 62.13 H new ATOM 0 HA GLU A 23 -0.440 -47.727 10.885 1.00 15.01 H new ATOM 0 HB2 GLU A 23 0.045 -49.399 12.583 1.00 44.33 H new ATOM 0 HB3 GLU A 23 0.690 -47.850 13.088 1.00 44.33 H new ATOM 0 HG2 GLU A 23 -1.305 -47.517 14.547 1.00 12.44 H new ATOM 0 HG3 GLU A 23 -1.903 -49.092 14.067 1.00 12.44 H new ATOM 345 N ASN A 24 -3.362 -48.100 12.328 1.00 0.24 N ATOM 346 CA ASN A 24 -4.669 -48.734 12.197 1.00 63.02 C ATOM 347 C ASN A 24 -5.511 -48.029 11.138 1.00 14.03 C ATOM 348 O ASN A 24 -6.380 -48.639 10.514 1.00 43.21 O ATOM 349 CB ASN A 24 -5.402 -48.722 13.540 1.00 60.34 C ATOM 350 CG ASN A 24 -6.143 -50.019 13.805 1.00 5.22 C ATOM 351 OD1 ASN A 24 -6.513 -50.737 12.876 1.00 4.22 O ATOM 352 ND2 ASN A 24 -6.362 -50.324 15.079 1.00 73.23 N ATOM 0 H ASN A 24 -3.314 -47.379 13.048 1.00 0.24 H new ATOM 0 HA ASN A 24 -4.515 -49.767 11.885 1.00 63.02 H new ATOM 0 HB2 ASN A 24 -4.684 -48.546 14.341 1.00 60.34 H new ATOM 0 HB3 ASN A 24 -6.109 -47.892 13.558 1.00 60.34 H new ATOM 0 HD21 ASN A 24 -6.855 -51.184 15.320 1.00 73.23 H new ATOM 0 HD22 ASN A 24 -6.037 -49.699 15.816 1.00 73.23 H new ATOM 359 N ASP A 25 -5.248 -46.742 10.942 1.00 55.23 N ATOM 360 CA ASP A 25 -5.981 -45.953 9.958 1.00 70.33 C ATOM 361 C ASP A 25 -5.609 -46.373 8.539 1.00 30.21 C ATOM 362 O ASP A 25 -4.430 -46.478 8.202 1.00 13.40 O ATOM 363 CB ASP A 25 -5.697 -44.463 10.153 1.00 60.21 C ATOM 364 CG ASP A 25 -6.818 -43.587 9.629 1.00 44.30 C ATOM 365 OD1 ASP A 25 -6.517 -42.522 9.049 1.00 1.14 O ATOM 366 OD2 ASP A 25 -7.995 -43.966 9.798 1.00 51.03 O ATOM 0 H ASP A 25 -4.533 -46.223 11.451 1.00 55.23 H new ATOM 0 HA ASP A 25 -7.046 -46.134 10.104 1.00 70.33 H new ATOM 0 HB2 ASP A 25 -5.547 -44.260 11.213 1.00 60.21 H new ATOM 0 HB3 ASP A 25 -4.769 -44.203 9.644 1.00 60.21 H new ATOM 371 N GLU A 26 -6.623 -46.613 7.713 1.00 22.43 N ATOM 372 CA GLU A 26 -6.401 -47.024 6.332 1.00 51.12 C ATOM 373 C GLU A 26 -5.559 -45.992 5.586 1.00 31.52 C ATOM 374 O GLU A 26 -5.529 -44.811 5.932 1.00 21.33 O ATOM 375 CB GLU A 26 -7.738 -47.222 5.614 1.00 0.13 C ATOM 376 CG GLU A 26 -8.337 -45.933 5.076 1.00 25.20 C ATOM 377 CD GLU A 26 -8.555 -44.894 6.159 1.00 71.50 C ATOM 378 OE1 GLU A 26 -9.220 -45.218 7.165 1.00 30.53 O ATOM 379 OE2 GLU A 26 -8.062 -43.758 6.000 1.00 21.44 O ATOM 0 H GLU A 26 -7.605 -46.530 7.976 1.00 22.43 H new ATOM 0 HA GLU A 26 -5.860 -47.970 6.344 1.00 51.12 H new ATOM 0 HB2 GLU A 26 -7.598 -47.920 4.788 1.00 0.13 H new ATOM 0 HB3 GLU A 26 -8.446 -47.682 6.303 1.00 0.13 H new ATOM 0 HG2 GLU A 26 -7.678 -45.522 4.311 1.00 25.20 H new ATOM 0 HG3 GLU A 26 -9.289 -46.153 4.592 1.00 25.20 H new ATOM 386 N PRO A 27 -4.858 -46.448 4.538 1.00 63.23 N ATOM 387 CA PRO A 27 -4.002 -45.582 3.721 1.00 71.30 C ATOM 388 C PRO A 27 -4.808 -44.599 2.879 1.00 2.33 C ATOM 389 O PRO A 27 -5.539 -44.997 1.973 1.00 75.54 O ATOM 390 CB PRO A 27 -3.255 -46.569 2.821 1.00 64.32 C ATOM 391 CG PRO A 27 -4.148 -47.759 2.739 1.00 3.15 C ATOM 392 CD PRO A 27 -4.846 -47.844 4.068 1.00 13.14 C ATOM 0 HA PRO A 27 -3.347 -44.962 4.333 1.00 71.30 H new ATOM 0 HB2 PRO A 27 -3.071 -46.144 1.834 1.00 64.32 H new ATOM 0 HB3 PRO A 27 -2.284 -46.831 3.241 1.00 64.32 H new ATOM 0 HG2 PRO A 27 -4.867 -47.652 1.927 1.00 3.15 H new ATOM 0 HG3 PRO A 27 -3.575 -48.664 2.541 1.00 3.15 H new ATOM 0 HD2 PRO A 27 -5.856 -48.242 3.967 1.00 13.14 H new ATOM 0 HD3 PRO A 27 -4.314 -48.496 4.760 1.00 13.14 H new ATOM 400 N ILE A 28 -4.668 -43.313 3.185 1.00 74.14 N ATOM 401 CA ILE A 28 -5.383 -42.273 2.454 1.00 24.25 C ATOM 402 C ILE A 28 -4.820 -42.104 1.047 1.00 21.33 C ATOM 403 O ILE A 28 -3.618 -42.251 0.828 1.00 51.54 O ATOM 404 CB ILE A 28 -5.313 -40.921 3.189 1.00 74.14 C ATOM 405 CG1 ILE A 28 -6.060 -39.847 2.395 1.00 11.45 C ATOM 406 CG2 ILE A 28 -3.865 -40.513 3.411 1.00 42.43 C ATOM 407 CD1 ILE A 28 -7.524 -40.161 2.182 1.00 71.21 C ATOM 0 H ILE A 28 -4.067 -42.967 3.933 1.00 74.14 H new ATOM 0 HA ILE A 28 -6.424 -42.590 2.390 1.00 24.25 H new ATOM 0 HB ILE A 28 -5.792 -41.027 4.162 1.00 74.14 H new ATOM 0 HG12 ILE A 28 -5.973 -38.894 2.918 1.00 11.45 H new ATOM 0 HG13 ILE A 28 -5.579 -39.723 1.425 1.00 11.45 H new ATOM 0 HG21 ILE A 28 -3.832 -39.556 3.931 1.00 42.43 H new ATOM 0 HG22 ILE A 28 -3.362 -41.270 4.012 1.00 42.43 H new ATOM 0 HG23 ILE A 28 -3.362 -40.420 2.449 1.00 42.43 H new ATOM 0 HD11 ILE A 28 -7.989 -39.357 1.612 1.00 71.21 H new ATOM 0 HD12 ILE A 28 -7.619 -41.097 1.632 1.00 71.21 H new ATOM 0 HD13 ILE A 28 -8.020 -40.256 3.148 1.00 71.21 H new ATOM 419 N GLU A 29 -5.697 -41.794 0.098 1.00 15.22 N ATOM 420 CA GLU A 29 -5.287 -41.604 -1.288 1.00 51.21 C ATOM 421 C GLU A 29 -5.325 -40.127 -1.669 1.00 40.32 C ATOM 422 O GLU A 29 -6.392 -39.514 -1.715 1.00 71.02 O ATOM 423 CB GLU A 29 -6.191 -42.407 -2.226 1.00 13.15 C ATOM 424 CG GLU A 29 -7.671 -42.119 -2.039 1.00 13.44 C ATOM 425 CD GLU A 29 -8.338 -41.642 -3.314 1.00 54.40 C ATOM 426 OE1 GLU A 29 -8.875 -40.514 -3.316 1.00 44.43 O ATOM 427 OE2 GLU A 29 -8.325 -42.396 -4.309 1.00 42.32 O ATOM 0 H GLU A 29 -6.696 -41.669 0.264 1.00 15.22 H new ATOM 0 HA GLU A 29 -4.262 -41.962 -1.389 1.00 51.21 H new ATOM 0 HB2 GLU A 29 -5.915 -42.189 -3.258 1.00 13.15 H new ATOM 0 HB3 GLU A 29 -6.013 -43.470 -2.066 1.00 13.15 H new ATOM 0 HG2 GLU A 29 -8.171 -43.021 -1.687 1.00 13.44 H new ATOM 0 HG3 GLU A 29 -7.795 -41.363 -1.264 1.00 13.44 H new ATOM 434 N ILE A 30 -4.153 -39.562 -1.941 1.00 14.45 N ATOM 435 CA ILE A 30 -4.052 -38.157 -2.318 1.00 33.32 C ATOM 436 C ILE A 30 -3.444 -38.004 -3.708 1.00 14.01 C ATOM 437 O ILE A 30 -2.691 -38.855 -4.180 1.00 62.24 O ATOM 438 CB ILE A 30 -3.203 -37.363 -1.308 1.00 52.20 C ATOM 439 CG1 ILE A 30 -2.342 -38.313 -0.474 1.00 24.01 C ATOM 440 CG2 ILE A 30 -4.098 -36.523 -0.409 1.00 1.03 C ATOM 441 CD1 ILE A 30 -1.202 -37.624 0.242 1.00 4.44 C ATOM 0 H ILE A 30 -3.261 -40.055 -1.907 1.00 14.45 H new ATOM 0 HA ILE A 30 -5.066 -37.757 -2.321 1.00 33.32 H new ATOM 0 HB ILE A 30 -2.542 -36.693 -1.858 1.00 52.20 H new ATOM 0 HG12 ILE A 30 -2.973 -38.812 0.261 1.00 24.01 H new ATOM 0 HG13 ILE A 30 -1.936 -39.088 -1.124 1.00 24.01 H new ATOM 0 HG21 ILE A 30 -3.484 -35.968 0.300 1.00 1.03 H new ATOM 0 HG22 ILE A 30 -4.672 -35.824 -1.018 1.00 1.03 H new ATOM 0 HG23 ILE A 30 -4.781 -37.175 0.136 1.00 1.03 H new ATOM 0 HD11 ILE A 30 -0.634 -38.358 0.813 1.00 4.44 H new ATOM 0 HD12 ILE A 30 -0.548 -37.148 -0.489 1.00 4.44 H new ATOM 0 HD13 ILE A 30 -1.601 -36.868 0.918 1.00 4.44 H new ATOM 453 N PRO A 31 -3.777 -36.892 -4.380 1.00 10.33 N ATOM 454 CA PRO A 31 -3.273 -36.599 -5.725 1.00 0.33 C ATOM 455 C PRO A 31 -1.783 -36.273 -5.727 1.00 54.42 C ATOM 456 O PRO A 31 -1.285 -35.594 -4.829 1.00 33.31 O ATOM 457 CB PRO A 31 -4.089 -35.376 -6.151 1.00 1.44 C ATOM 458 CG PRO A 31 -4.486 -34.722 -4.873 1.00 14.45 C ATOM 459 CD PRO A 31 -4.670 -35.834 -3.878 1.00 33.13 C ATOM 0 HA PRO A 31 -3.378 -37.452 -6.395 1.00 0.33 H new ATOM 0 HB2 PRO A 31 -3.499 -34.703 -6.773 1.00 1.44 H new ATOM 0 HB3 PRO A 31 -4.962 -35.667 -6.735 1.00 1.44 H new ATOM 0 HG2 PRO A 31 -3.720 -34.022 -4.539 1.00 14.45 H new ATOM 0 HG3 PRO A 31 -5.407 -34.152 -4.996 1.00 14.45 H new ATOM 0 HD2 PRO A 31 -4.396 -35.521 -2.871 1.00 33.13 H new ATOM 0 HD3 PRO A 31 -5.706 -36.169 -3.837 1.00 33.13 H new ATOM 467 N SER A 32 -1.077 -36.759 -6.743 1.00 34.53 N ATOM 468 CA SER A 32 0.357 -36.522 -6.860 1.00 74.20 C ATOM 469 C SER A 32 0.686 -35.822 -8.175 1.00 74.00 C ATOM 470 O SER A 32 -0.209 -35.461 -8.938 1.00 54.23 O ATOM 471 CB SER A 32 1.123 -37.843 -6.767 1.00 32.11 C ATOM 472 OG SER A 32 1.378 -38.377 -8.055 1.00 14.23 O ATOM 0 H SER A 32 -1.475 -37.319 -7.497 1.00 34.53 H new ATOM 0 HA SER A 32 0.662 -35.875 -6.037 1.00 74.20 H new ATOM 0 HB2 SER A 32 2.065 -37.684 -6.243 1.00 32.11 H new ATOM 0 HB3 SER A 32 0.548 -38.560 -6.180 1.00 32.11 H new ATOM 0 HG SER A 32 0.561 -38.790 -8.405 1.00 14.23 H new ATOM 478 N GLU A 33 1.976 -35.634 -8.432 1.00 24.35 N ATOM 479 CA GLU A 33 2.424 -34.977 -9.654 1.00 11.44 C ATOM 480 C GLU A 33 2.650 -35.994 -10.768 1.00 34.51 C ATOM 481 O GLU A 33 2.682 -37.201 -10.524 1.00 42.21 O ATOM 482 CB GLU A 33 3.712 -34.193 -9.395 1.00 25.00 C ATOM 483 CG GLU A 33 3.605 -32.716 -9.734 1.00 11.22 C ATOM 484 CD GLU A 33 4.801 -32.208 -10.515 1.00 2.20 C ATOM 485 OE1 GLU A 33 5.944 -32.450 -10.073 1.00 71.41 O ATOM 486 OE2 GLU A 33 4.595 -31.568 -11.567 1.00 42.12 O ATOM 0 H GLU A 33 2.730 -35.927 -7.810 1.00 24.35 H new ATOM 0 HA GLU A 33 1.643 -34.285 -9.971 1.00 11.44 H new ATOM 0 HB2 GLU A 33 3.986 -34.297 -8.345 1.00 25.00 H new ATOM 0 HB3 GLU A 33 4.519 -34.634 -9.980 1.00 25.00 H new ATOM 0 HG2 GLU A 33 2.698 -32.545 -10.314 1.00 11.22 H new ATOM 0 HG3 GLU A 33 3.507 -32.142 -8.813 1.00 11.22 H new ATOM 493 N ASP A 34 2.804 -35.499 -11.991 1.00 23.32 N ATOM 494 CA ASP A 34 3.027 -36.364 -13.143 1.00 64.35 C ATOM 495 C ASP A 34 4.366 -37.087 -13.030 1.00 3.43 C ATOM 496 O ASP A 34 4.476 -38.267 -13.361 1.00 61.15 O ATOM 497 CB ASP A 34 2.982 -35.549 -14.436 1.00 41.35 C ATOM 498 CG ASP A 34 2.509 -36.368 -15.621 1.00 53.53 C ATOM 499 OD1 ASP A 34 3.276 -37.237 -16.087 1.00 14.33 O ATOM 500 OD2 ASP A 34 1.371 -36.140 -16.083 1.00 0.14 O ATOM 0 H ASP A 34 2.778 -34.503 -12.210 1.00 23.32 H new ATOM 0 HA ASP A 34 2.232 -37.110 -13.164 1.00 64.35 H new ATOM 0 HB2 ASP A 34 2.319 -34.695 -14.301 1.00 41.35 H new ATOM 0 HB3 ASP A 34 3.975 -35.151 -14.646 1.00 41.35 H new ATOM 505 N ASP A 35 5.381 -36.370 -12.560 1.00 2.20 N ATOM 506 CA ASP A 35 6.713 -36.942 -12.402 1.00 63.15 C ATOM 507 C ASP A 35 6.705 -38.060 -11.364 1.00 41.14 C ATOM 508 O ASP A 35 7.609 -38.893 -11.328 1.00 23.44 O ATOM 509 CB ASP A 35 7.712 -35.858 -11.995 1.00 65.21 C ATOM 510 CG ASP A 35 8.708 -35.546 -13.095 1.00 3.12 C ATOM 511 OD1 ASP A 35 9.110 -36.483 -13.816 1.00 33.51 O ATOM 512 OD2 ASP A 35 9.086 -34.364 -13.235 1.00 15.01 O ATOM 0 H ASP A 35 5.307 -35.391 -12.282 1.00 2.20 H new ATOM 0 HA ASP A 35 7.017 -37.363 -13.360 1.00 63.15 H new ATOM 0 HB2 ASP A 35 7.170 -34.950 -11.731 1.00 65.21 H new ATOM 0 HB3 ASP A 35 8.249 -36.180 -11.103 1.00 65.21 H new ATOM 517 N GLY A 36 5.677 -38.070 -10.521 1.00 24.02 N ATOM 518 CA GLY A 36 5.572 -39.089 -9.493 1.00 15.23 C ATOM 519 C GLY A 36 5.591 -38.505 -8.094 1.00 21.11 C ATOM 520 O GLY A 36 4.994 -39.062 -7.172 1.00 12.53 O ATOM 0 H GLY A 36 4.916 -37.391 -10.532 1.00 24.02 H new ATOM 0 HA2 GLY A 36 4.649 -39.651 -9.636 1.00 15.23 H new ATOM 0 HA3 GLY A 36 6.396 -39.795 -9.600 1.00 15.23 H new ATOM 524 N THR A 37 6.281 -37.380 -7.933 1.00 62.22 N ATOM 525 CA THR A 37 6.379 -36.722 -6.636 1.00 60.25 C ATOM 526 C THR A 37 5.015 -36.230 -6.166 1.00 4.34 C ATOM 527 O THR A 37 3.989 -36.545 -6.767 1.00 35.42 O ATOM 528 CB THR A 37 7.354 -35.531 -6.683 1.00 44.11 C ATOM 529 OG1 THR A 37 6.800 -34.474 -7.474 1.00 74.24 O ATOM 530 CG2 THR A 37 8.697 -35.953 -7.261 1.00 52.10 C ATOM 0 H THR A 37 6.780 -36.905 -8.685 1.00 62.22 H new ATOM 0 HA THR A 37 6.757 -37.463 -5.932 1.00 60.25 H new ATOM 0 HB THR A 37 7.510 -35.178 -5.664 1.00 44.11 H new ATOM 0 HG1 THR A 37 7.507 -34.068 -8.018 1.00 74.24 H new ATOM 0 HG21 THR A 37 9.369 -35.095 -7.284 1.00 52.10 H new ATOM 0 HG22 THR A 37 9.130 -36.737 -6.640 1.00 52.10 H new ATOM 0 HG23 THR A 37 8.555 -36.330 -8.274 1.00 52.10 H new ATOM 538 N VAL A 38 5.012 -35.453 -5.087 1.00 31.44 N ATOM 539 CA VAL A 38 3.774 -34.915 -4.536 1.00 32.31 C ATOM 540 C VAL A 38 3.963 -33.481 -4.057 1.00 3.54 C ATOM 541 O VAL A 38 4.905 -33.179 -3.321 1.00 75.13 O ATOM 542 CB VAL A 38 3.261 -35.773 -3.364 1.00 24.14 C ATOM 543 CG1 VAL A 38 2.124 -35.067 -2.642 1.00 1.51 C ATOM 544 CG2 VAL A 38 2.821 -37.142 -3.859 1.00 33.33 C ATOM 0 H VAL A 38 5.853 -35.182 -4.577 1.00 31.44 H new ATOM 0 HA VAL A 38 3.037 -34.932 -5.339 1.00 32.31 H new ATOM 0 HB VAL A 38 4.077 -35.913 -2.655 1.00 24.14 H new ATOM 0 HG11 VAL A 38 1.775 -35.689 -1.817 1.00 1.51 H new ATOM 0 HG12 VAL A 38 2.478 -34.112 -2.252 1.00 1.51 H new ATOM 0 HG13 VAL A 38 1.303 -34.893 -3.338 1.00 1.51 H new ATOM 0 HG21 VAL A 38 2.462 -37.735 -3.018 1.00 33.33 H new ATOM 0 HG22 VAL A 38 2.020 -37.025 -4.589 1.00 33.33 H new ATOM 0 HG23 VAL A 38 3.666 -37.649 -4.325 1.00 33.33 H new ATOM 554 N LEU A 39 3.063 -32.599 -4.477 1.00 3.41 N ATOM 555 CA LEU A 39 3.130 -31.194 -4.090 1.00 42.52 C ATOM 556 C LEU A 39 2.943 -31.034 -2.585 1.00 12.51 C ATOM 557 O LEU A 39 2.072 -31.666 -1.986 1.00 55.22 O ATOM 558 CB LEU A 39 2.066 -30.387 -4.837 1.00 31.43 C ATOM 559 CG LEU A 39 2.534 -29.070 -5.456 1.00 75.13 C ATOM 560 CD1 LEU A 39 1.419 -28.441 -6.277 1.00 15.41 C ATOM 561 CD2 LEU A 39 3.009 -28.111 -4.375 1.00 12.04 C ATOM 0 H LEU A 39 2.278 -32.832 -5.086 1.00 3.41 H new ATOM 0 HA LEU A 39 4.117 -30.816 -4.357 1.00 42.52 H new ATOM 0 HB2 LEU A 39 1.655 -31.012 -5.630 1.00 31.43 H new ATOM 0 HB3 LEU A 39 1.251 -30.171 -4.146 1.00 31.43 H new ATOM 0 HG LEU A 39 3.372 -29.280 -6.120 1.00 75.13 H new ATOM 0 HD11 LEU A 39 1.770 -27.504 -6.710 1.00 15.41 H new ATOM 0 HD12 LEU A 39 1.126 -29.123 -7.075 1.00 15.41 H new ATOM 0 HD13 LEU A 39 0.561 -28.244 -5.635 1.00 15.41 H new ATOM 0 HD21 LEU A 39 3.338 -27.179 -4.834 1.00 12.04 H new ATOM 0 HD22 LEU A 39 2.190 -27.906 -3.685 1.00 12.04 H new ATOM 0 HD23 LEU A 39 3.839 -28.560 -3.830 1.00 12.04 H new ATOM 573 N LEU A 40 3.764 -30.183 -1.979 1.00 30.21 N ATOM 574 CA LEU A 40 3.688 -29.938 -0.543 1.00 14.51 C ATOM 575 C LEU A 40 2.254 -29.635 -0.118 1.00 4.33 C ATOM 576 O LEU A 40 1.789 -30.113 0.917 1.00 41.23 O ATOM 577 CB LEU A 40 4.603 -28.775 -0.155 1.00 62.11 C ATOM 578 CG LEU A 40 4.834 -28.574 1.343 1.00 43.20 C ATOM 579 CD1 LEU A 40 5.287 -29.872 1.992 1.00 24.14 C ATOM 580 CD2 LEU A 40 5.856 -27.471 1.582 1.00 75.14 C ATOM 0 H LEU A 40 4.490 -29.651 -2.460 1.00 30.21 H new ATOM 0 HA LEU A 40 4.018 -30.840 -0.027 1.00 14.51 H new ATOM 0 HB2 LEU A 40 5.570 -28.924 -0.635 1.00 62.11 H new ATOM 0 HB3 LEU A 40 4.183 -27.856 -0.564 1.00 62.11 H new ATOM 0 HG LEU A 40 3.891 -28.273 1.799 1.00 43.20 H new ATOM 0 HD11 LEU A 40 5.446 -29.710 3.058 1.00 24.14 H new ATOM 0 HD12 LEU A 40 4.522 -30.635 1.852 1.00 24.14 H new ATOM 0 HD13 LEU A 40 6.218 -30.203 1.532 1.00 24.14 H new ATOM 0 HD21 LEU A 40 6.008 -27.342 2.654 1.00 75.14 H new ATOM 0 HD22 LEU A 40 6.801 -27.743 1.112 1.00 75.14 H new ATOM 0 HD23 LEU A 40 5.492 -26.538 1.152 1.00 75.14 H new ATOM 592 N SER A 41 1.559 -28.839 -0.924 1.00 71.31 N ATOM 593 CA SER A 41 0.179 -28.471 -0.631 1.00 33.43 C ATOM 594 C SER A 41 -0.668 -29.711 -0.360 1.00 32.22 C ATOM 595 O SER A 41 -1.577 -29.688 0.471 1.00 73.04 O ATOM 596 CB SER A 41 -0.418 -27.677 -1.794 1.00 1.40 C ATOM 597 OG SER A 41 0.216 -26.416 -1.928 1.00 75.13 O ATOM 0 H SER A 41 1.929 -28.437 -1.785 1.00 71.31 H new ATOM 0 HA SER A 41 0.178 -27.848 0.263 1.00 33.43 H new ATOM 0 HB2 SER A 41 -0.309 -28.243 -2.719 1.00 1.40 H new ATOM 0 HB3 SER A 41 -1.486 -27.535 -1.631 1.00 1.40 H new ATOM 0 HG SER A 41 -0.182 -25.928 -2.679 1.00 75.13 H new ATOM 603 N THR A 42 -0.363 -30.795 -1.067 1.00 52.32 N ATOM 604 CA THR A 42 -1.096 -32.044 -0.905 1.00 65.33 C ATOM 605 C THR A 42 -0.744 -32.721 0.415 1.00 50.41 C ATOM 606 O THR A 42 -1.614 -33.260 1.098 1.00 31.44 O ATOM 607 CB THR A 42 -0.805 -33.019 -2.062 1.00 32.52 C ATOM 608 OG1 THR A 42 -1.026 -32.369 -3.318 1.00 74.12 O ATOM 609 CG2 THR A 42 -1.687 -34.255 -1.962 1.00 52.13 C ATOM 0 H THR A 42 0.387 -30.833 -1.757 1.00 52.32 H new ATOM 0 HA THR A 42 -2.156 -31.792 -0.909 1.00 65.33 H new ATOM 0 HB THR A 42 0.238 -33.329 -1.993 1.00 32.52 H new ATOM 0 HG1 THR A 42 -0.837 -32.995 -4.048 1.00 74.12 H new ATOM 0 HG21 THR A 42 -1.464 -34.929 -2.789 1.00 52.13 H new ATOM 0 HG22 THR A 42 -1.495 -34.764 -1.017 1.00 52.13 H new ATOM 0 HG23 THR A 42 -2.735 -33.959 -2.008 1.00 52.13 H new ATOM 617 N VAL A 43 0.537 -32.687 0.769 1.00 72.30 N ATOM 618 CA VAL A 43 1.003 -33.296 2.009 1.00 1.32 C ATOM 619 C VAL A 43 0.366 -32.628 3.222 1.00 11.15 C ATOM 620 O VAL A 43 0.099 -33.277 4.234 1.00 31.14 O ATOM 621 CB VAL A 43 2.536 -33.209 2.135 1.00 32.12 C ATOM 622 CG1 VAL A 43 2.960 -33.332 3.591 1.00 52.52 C ATOM 623 CG2 VAL A 43 3.201 -34.281 1.285 1.00 22.25 C ATOM 0 H VAL A 43 1.270 -32.244 0.215 1.00 72.30 H new ATOM 0 HA VAL A 43 0.707 -34.345 1.978 1.00 1.32 H new ATOM 0 HB VAL A 43 2.859 -32.235 1.769 1.00 32.12 H new ATOM 0 HG11 VAL A 43 4.046 -33.268 3.660 1.00 52.52 H new ATOM 0 HG12 VAL A 43 2.511 -32.525 4.170 1.00 52.52 H new ATOM 0 HG13 VAL A 43 2.627 -34.291 3.987 1.00 52.52 H new ATOM 0 HG21 VAL A 43 4.284 -34.205 1.386 1.00 22.25 H new ATOM 0 HG22 VAL A 43 2.873 -35.265 1.619 1.00 22.25 H new ATOM 0 HG23 VAL A 43 2.923 -34.141 0.240 1.00 22.25 H new ATOM 633 N THR A 44 0.123 -31.325 3.115 1.00 62.21 N ATOM 634 CA THR A 44 -0.482 -30.568 4.203 1.00 33.11 C ATOM 635 C THR A 44 -1.986 -30.810 4.271 1.00 41.00 C ATOM 636 O THR A 44 -2.577 -30.800 5.350 1.00 35.30 O ATOM 637 CB THR A 44 -0.223 -29.058 4.049 1.00 53.43 C ATOM 638 OG1 THR A 44 -0.972 -28.543 2.942 1.00 11.30 O ATOM 639 CG2 THR A 44 1.258 -28.781 3.838 1.00 73.31 C ATOM 0 H THR A 44 0.336 -30.772 2.285 1.00 62.21 H new ATOM 0 HA THR A 44 -0.018 -30.916 5.126 1.00 33.11 H new ATOM 0 HB THR A 44 -0.542 -28.562 4.966 1.00 53.43 H new ATOM 0 HG1 THR A 44 -1.005 -29.214 2.229 1.00 11.30 H new ATOM 0 HG21 THR A 44 1.416 -27.708 3.732 1.00 73.31 H new ATOM 0 HG22 THR A 44 1.823 -29.148 4.695 1.00 73.31 H new ATOM 0 HG23 THR A 44 1.598 -29.289 2.935 1.00 73.31 H new ATOM 647 N ALA A 45 -2.599 -31.027 3.112 1.00 65.51 N ATOM 648 CA ALA A 45 -4.033 -31.275 3.041 1.00 52.23 C ATOM 649 C ALA A 45 -4.449 -32.376 4.010 1.00 12.00 C ATOM 650 O ALA A 45 -5.413 -32.223 4.760 1.00 4.33 O ATOM 651 CB ALA A 45 -4.436 -31.640 1.620 1.00 40.04 C ATOM 0 H ALA A 45 -2.124 -31.036 2.209 1.00 65.51 H new ATOM 0 HA ALA A 45 -4.549 -30.359 3.330 1.00 52.23 H new ATOM 0 HB1 ALA A 45 -5.510 -31.823 1.582 1.00 40.04 H new ATOM 0 HB2 ALA A 45 -4.183 -30.820 0.948 1.00 40.04 H new ATOM 0 HB3 ALA A 45 -3.904 -32.540 1.311 1.00 40.04 H new ATOM 657 N GLN A 46 -3.717 -33.485 3.988 1.00 73.12 N ATOM 658 CA GLN A 46 -4.012 -34.612 4.864 1.00 34.35 C ATOM 659 C GLN A 46 -3.072 -34.629 6.065 1.00 64.33 C ATOM 660 O GLN A 46 -3.438 -35.087 7.147 1.00 22.52 O ATOM 661 CB GLN A 46 -3.899 -35.929 4.094 1.00 43.44 C ATOM 662 CG GLN A 46 -5.238 -36.598 3.832 1.00 72.11 C ATOM 663 CD GLN A 46 -5.652 -37.532 4.952 1.00 71.54 C ATOM 664 OE1 GLN A 46 -4.748 -38.422 5.345 1.00 33.13 O flip ATOM 665 NE2 GLN A 46 -6.772 -37.456 5.457 1.00 12.04 N flip ATOM 0 H GLN A 46 -2.916 -33.627 3.373 1.00 73.12 H new ATOM 0 HA GLN A 46 -5.034 -34.499 5.227 1.00 34.35 H new ATOM 0 HB2 GLN A 46 -3.403 -35.742 3.141 1.00 43.44 H new ATOM 0 HB3 GLN A 46 -3.263 -36.614 4.655 1.00 43.44 H new ATOM 0 HG2 GLN A 46 -6.003 -35.833 3.701 1.00 72.11 H new ATOM 0 HG3 GLN A 46 -5.184 -37.158 2.898 1.00 72.11 H new ATOM 0 HE21 GLN A 46 -7.435 -36.756 5.124 1.00 12.04 H new ATOM 0 HE22 GLN A 46 -7.037 -38.093 6.209 1.00 12.04 H new ATOM 674 N PHE A 47 -1.857 -34.127 5.866 1.00 73.44 N ATOM 675 CA PHE A 47 -0.863 -34.086 6.931 1.00 21.24 C ATOM 676 C PHE A 47 -0.344 -32.666 7.137 1.00 53.12 C ATOM 677 O PHE A 47 0.759 -32.314 6.718 1.00 32.12 O ATOM 678 CB PHE A 47 0.302 -35.025 6.608 1.00 54.41 C ATOM 679 CG PHE A 47 -0.117 -36.270 5.880 1.00 23.34 C ATOM 680 CD1 PHE A 47 -1.146 -37.060 6.367 1.00 63.30 C ATOM 681 CD2 PHE A 47 0.520 -36.651 4.710 1.00 74.50 C ATOM 682 CE1 PHE A 47 -1.533 -38.207 5.700 1.00 73.03 C ATOM 683 CE2 PHE A 47 0.136 -37.797 4.038 1.00 0.22 C ATOM 684 CZ PHE A 47 -0.891 -38.576 4.534 1.00 22.23 C ATOM 0 H PHE A 47 -1.538 -33.743 4.977 1.00 73.44 H new ATOM 0 HA PHE A 47 -1.342 -34.416 7.853 1.00 21.24 H new ATOM 0 HB2 PHE A 47 1.034 -34.489 6.004 1.00 54.41 H new ATOM 0 HB3 PHE A 47 0.800 -35.306 7.536 1.00 54.41 H new ATOM 0 HD1 PHE A 47 -1.651 -36.776 7.278 1.00 63.30 H new ATOM 0 HD2 PHE A 47 1.325 -36.047 4.319 1.00 74.50 H new ATOM 0 HE1 PHE A 47 -2.337 -38.814 6.090 1.00 73.03 H new ATOM 0 HE2 PHE A 47 0.639 -38.083 3.126 1.00 0.22 H new ATOM 0 HZ PHE A 47 -1.192 -39.472 4.011 1.00 22.23 H new ATOM 694 N PRO A 48 -1.159 -31.829 7.796 1.00 3.14 N ATOM 695 CA PRO A 48 -0.804 -30.433 8.073 1.00 74.52 C ATOM 696 C PRO A 48 0.314 -30.312 9.102 1.00 64.33 C ATOM 697 O PRO A 48 0.248 -30.905 10.178 1.00 63.13 O ATOM 698 CB PRO A 48 -2.104 -29.840 8.623 1.00 3.01 C ATOM 699 CG PRO A 48 -2.841 -31.003 9.191 1.00 70.44 C ATOM 700 CD PRO A 48 -2.488 -32.180 8.324 1.00 61.31 C ATOM 0 HA PRO A 48 -0.429 -29.924 7.185 1.00 74.52 H new ATOM 0 HB2 PRO A 48 -1.904 -29.087 9.386 1.00 3.01 H new ATOM 0 HB3 PRO A 48 -2.680 -29.352 7.837 1.00 3.01 H new ATOM 0 HG2 PRO A 48 -2.551 -31.180 10.227 1.00 70.44 H new ATOM 0 HG3 PRO A 48 -3.916 -30.824 9.187 1.00 70.44 H new ATOM 0 HD2 PRO A 48 -2.461 -33.107 8.897 1.00 61.31 H new ATOM 0 HD3 PRO A 48 -3.214 -32.321 7.523 1.00 61.31 H new ATOM 708 N GLY A 49 1.342 -29.539 8.764 1.00 61.32 N ATOM 709 CA GLY A 49 2.461 -29.354 9.670 1.00 73.43 C ATOM 710 C GLY A 49 3.571 -30.359 9.433 1.00 34.21 C ATOM 711 O GLY A 49 4.738 -30.079 9.703 1.00 62.40 O ATOM 0 H GLY A 49 1.420 -29.038 7.879 1.00 61.32 H new ATOM 0 HA2 GLY A 49 2.857 -28.345 9.552 1.00 73.43 H new ATOM 0 HA3 GLY A 49 2.110 -29.441 10.698 1.00 73.43 H new ATOM 715 N ALA A 50 3.206 -31.534 8.929 1.00 50.51 N ATOM 716 CA ALA A 50 4.180 -32.583 8.656 1.00 32.20 C ATOM 717 C ALA A 50 5.335 -32.055 7.812 1.00 13.31 C ATOM 718 O ALA A 50 5.160 -31.732 6.636 1.00 20.53 O ATOM 719 CB ALA A 50 3.509 -33.758 7.959 1.00 14.42 C ATOM 0 H ALA A 50 2.243 -31.783 8.702 1.00 50.51 H new ATOM 0 HA ALA A 50 4.587 -32.923 9.608 1.00 32.20 H new ATOM 0 HB1 ALA A 50 4.248 -34.534 7.761 1.00 14.42 H new ATOM 0 HB2 ALA A 50 2.723 -34.160 8.599 1.00 14.42 H new ATOM 0 HB3 ALA A 50 3.074 -33.423 7.017 1.00 14.42 H new ATOM 725 N CYS A 51 6.513 -31.968 8.419 1.00 40.41 N ATOM 726 CA CYS A 51 7.697 -31.476 7.723 1.00 60.31 C ATOM 727 C CYS A 51 8.311 -32.570 6.855 1.00 33.11 C ATOM 728 O CYS A 51 8.874 -32.294 5.797 1.00 61.32 O ATOM 729 CB CYS A 51 8.730 -30.966 8.729 1.00 64.45 C ATOM 730 SG CYS A 51 8.609 -29.197 9.079 1.00 50.34 S ATOM 0 H CYS A 51 6.674 -32.231 9.391 1.00 40.41 H new ATOM 0 HA CYS A 51 7.393 -30.653 7.077 1.00 60.31 H new ATOM 0 HB2 CYS A 51 8.616 -31.519 9.662 1.00 64.45 H new ATOM 0 HB3 CYS A 51 9.729 -31.183 8.350 1.00 64.45 H new ATOM 0 HG CYS A 51 9.199 -28.937 10.208 1.00 50.34 H new ATOM 736 N GLY A 52 8.198 -33.814 7.312 1.00 5.21 N ATOM 737 CA GLY A 52 8.749 -34.931 6.566 1.00 14.42 C ATOM 738 C GLY A 52 7.995 -36.222 6.816 1.00 41.10 C ATOM 739 O GLY A 52 7.448 -36.431 7.900 1.00 44.12 O ATOM 0 H GLY A 52 7.735 -34.068 8.185 1.00 5.21 H new ATOM 0 HA2 GLY A 52 8.725 -34.700 5.501 1.00 14.42 H new ATOM 0 HA3 GLY A 52 9.795 -35.066 6.839 1.00 14.42 H new ATOM 743 N LEU A 53 7.964 -37.090 5.811 1.00 32.43 N ATOM 744 CA LEU A 53 7.270 -38.368 5.926 1.00 32.52 C ATOM 745 C LEU A 53 8.254 -39.531 5.854 1.00 65.21 C ATOM 746 O LEU A 53 9.215 -39.497 5.085 1.00 4.21 O ATOM 747 CB LEU A 53 6.222 -38.503 4.820 1.00 32.31 C ATOM 748 CG LEU A 53 5.346 -37.274 4.571 1.00 25.54 C ATOM 749 CD1 LEU A 53 4.986 -36.601 5.886 1.00 5.44 C ATOM 750 CD2 LEU A 53 6.052 -36.296 3.644 1.00 2.21 C ATOM 0 H LEU A 53 8.411 -36.932 4.908 1.00 32.43 H new ATOM 0 HA LEU A 53 6.772 -38.397 6.895 1.00 32.52 H new ATOM 0 HB2 LEU A 53 6.734 -38.754 3.891 1.00 32.31 H new ATOM 0 HB3 LEU A 53 5.573 -39.344 5.063 1.00 32.31 H new ATOM 0 HG LEU A 53 4.424 -37.599 4.089 1.00 25.54 H new ATOM 0 HD11 LEU A 53 4.363 -35.729 5.690 1.00 5.44 H new ATOM 0 HD12 LEU A 53 4.440 -37.303 6.516 1.00 5.44 H new ATOM 0 HD13 LEU A 53 5.897 -36.288 6.396 1.00 5.44 H new ATOM 0 HD21 LEU A 53 5.415 -35.428 3.478 1.00 2.21 H new ATOM 0 HD22 LEU A 53 6.990 -35.976 4.098 1.00 2.21 H new ATOM 0 HD23 LEU A 53 6.258 -36.783 2.691 1.00 2.21 H new ATOM 762 N ARG A 54 8.007 -40.560 6.658 1.00 23.01 N ATOM 763 CA ARG A 54 8.871 -41.734 6.685 1.00 45.15 C ATOM 764 C ARG A 54 8.203 -42.917 5.991 1.00 73.11 C ATOM 765 O ARG A 54 6.995 -42.909 5.754 1.00 55.22 O ATOM 766 CB ARG A 54 9.219 -42.105 8.127 1.00 5.13 C ATOM 767 CG ARG A 54 10.681 -42.472 8.326 1.00 31.30 C ATOM 768 CD ARG A 54 11.217 -41.932 9.643 1.00 71.43 C ATOM 769 NE ARG A 54 10.722 -42.692 10.788 1.00 52.42 N ATOM 770 CZ ARG A 54 11.090 -42.454 12.042 1.00 64.33 C ATOM 771 NH1 ARG A 54 11.953 -41.484 12.310 1.00 13.34 N ATOM 772 NH2 ARG A 54 10.596 -43.188 13.030 1.00 33.52 N ATOM 0 H ARG A 54 7.215 -40.604 7.300 1.00 23.01 H new ATOM 0 HA ARG A 54 9.788 -41.491 6.149 1.00 45.15 H new ATOM 0 HB2 ARG A 54 8.972 -41.267 8.779 1.00 5.13 H new ATOM 0 HB3 ARG A 54 8.597 -42.945 8.437 1.00 5.13 H new ATOM 0 HG2 ARG A 54 10.791 -43.556 8.304 1.00 31.30 H new ATOM 0 HG3 ARG A 54 11.272 -42.075 7.501 1.00 31.30 H new ATOM 0 HD2 ARG A 54 12.306 -41.963 9.631 1.00 71.43 H new ATOM 0 HD3 ARG A 54 10.929 -40.886 9.750 1.00 71.43 H new ATOM 0 HE ARG A 54 10.058 -43.446 10.615 1.00 52.42 H new ATOM 0 HH11 ARG A 54 12.336 -40.918 11.552 1.00 13.34 H new ATOM 0 HH12 ARG A 54 12.234 -41.303 13.274 1.00 13.34 H new ATOM 0 HH21 ARG A 54 9.933 -43.936 12.827 1.00 33.52 H new ATOM 0 HH22 ARG A 54 10.879 -43.004 13.993 1.00 33.52 H new ATOM 786 N TYR A 55 8.996 -43.932 5.668 1.00 61.30 N ATOM 787 CA TYR A 55 8.482 -45.121 4.999 1.00 72.41 C ATOM 788 C TYR A 55 8.350 -46.283 5.979 1.00 75.44 C ATOM 789 O TYR A 55 9.286 -46.601 6.712 1.00 70.53 O ATOM 790 CB TYR A 55 9.400 -45.518 3.841 1.00 15.21 C ATOM 791 CG TYR A 55 8.740 -45.417 2.484 1.00 3.11 C ATOM 792 CD1 TYR A 55 7.637 -46.200 2.166 1.00 4.00 C ATOM 793 CD2 TYR A 55 9.221 -44.540 1.520 1.00 53.41 C ATOM 794 CE1 TYR A 55 7.032 -46.112 0.927 1.00 2.23 C ATOM 795 CE2 TYR A 55 8.621 -44.444 0.279 1.00 10.32 C ATOM 796 CZ TYR A 55 7.527 -45.232 -0.012 1.00 43.05 C ATOM 797 OH TYR A 55 6.928 -45.140 -1.248 1.00 31.42 O ATOM 0 H TYR A 55 9.998 -43.955 5.859 1.00 61.30 H new ATOM 0 HA TYR A 55 7.493 -44.886 4.606 1.00 72.41 H new ATOM 0 HB2 TYR A 55 10.284 -44.881 3.854 1.00 15.21 H new ATOM 0 HB3 TYR A 55 9.742 -46.541 3.994 1.00 15.21 H new ATOM 0 HD1 TYR A 55 7.246 -46.889 2.900 1.00 4.00 H new ATOM 0 HD2 TYR A 55 10.078 -43.923 1.744 1.00 53.41 H new ATOM 0 HE1 TYR A 55 6.176 -46.729 0.695 1.00 2.23 H new ATOM 0 HE2 TYR A 55 9.006 -43.756 -0.459 1.00 10.32 H new ATOM 0 HH TYR A 55 6.028 -45.525 -1.205 1.00 31.42 H new ATOM 807 N ARG A 56 7.180 -46.914 5.984 1.00 15.31 N ATOM 808 CA ARG A 56 6.923 -48.040 6.873 1.00 32.32 C ATOM 809 C ARG A 56 6.393 -49.239 6.092 1.00 34.24 C ATOM 810 O ARG A 56 5.204 -49.315 5.783 1.00 3.41 O ATOM 811 CB ARG A 56 5.922 -47.642 7.959 1.00 32.44 C ATOM 812 CG ARG A 56 5.787 -48.672 9.070 1.00 53.43 C ATOM 813 CD ARG A 56 4.544 -49.529 8.886 1.00 24.22 C ATOM 814 NE ARG A 56 4.762 -50.907 9.318 1.00 32.24 N ATOM 815 CZ ARG A 56 4.946 -51.259 10.586 1.00 70.41 C ATOM 816 NH1 ARG A 56 4.939 -50.340 11.541 1.00 55.42 N ATOM 817 NH2 ARG A 56 5.138 -52.534 10.900 1.00 34.24 N ATOM 0 H ARG A 56 6.395 -46.664 5.382 1.00 15.31 H new ATOM 0 HA ARG A 56 7.865 -48.322 7.343 1.00 32.32 H new ATOM 0 HB2 ARG A 56 6.229 -46.690 8.393 1.00 32.44 H new ATOM 0 HB3 ARG A 56 4.946 -47.484 7.501 1.00 32.44 H new ATOM 0 HG2 ARG A 56 6.671 -49.310 9.086 1.00 53.43 H new ATOM 0 HG3 ARG A 56 5.742 -48.165 10.034 1.00 53.43 H new ATOM 0 HD2 ARG A 56 3.719 -49.097 9.452 1.00 24.22 H new ATOM 0 HD3 ARG A 56 4.249 -49.520 7.837 1.00 24.22 H new ATOM 0 HE ARG A 56 4.774 -51.639 8.608 1.00 32.24 H new ATOM 0 HH11 ARG A 56 4.792 -49.359 11.304 1.00 55.42 H new ATOM 0 HH12 ARG A 56 5.081 -50.614 12.513 1.00 55.42 H new ATOM 0 HH21 ARG A 56 5.144 -53.244 10.168 1.00 34.24 H new ATOM 0 HH22 ARG A 56 5.279 -52.804 11.873 1.00 34.24 H new ATOM 831 N ASN A 57 7.283 -50.174 5.777 1.00 61.03 N ATOM 832 CA ASN A 57 6.905 -51.369 5.031 1.00 41.01 C ATOM 833 C ASN A 57 7.142 -52.626 5.862 1.00 34.40 C ATOM 834 O ASN A 57 7.996 -52.663 6.748 1.00 34.31 O ATOM 835 CB ASN A 57 7.697 -51.452 3.724 1.00 14.51 C ATOM 836 CG ASN A 57 6.802 -51.392 2.501 1.00 15.44 C ATOM 837 OD1 ASN A 57 6.049 -50.435 2.315 1.00 4.12 O ATOM 838 ND2 ASN A 57 6.879 -52.417 1.661 1.00 50.21 N ATOM 0 H ASN A 57 8.271 -50.128 6.027 1.00 61.03 H new ATOM 0 HA ASN A 57 5.842 -51.302 4.800 1.00 41.01 H new ATOM 0 HB2 ASN A 57 8.416 -50.634 3.685 1.00 14.51 H new ATOM 0 HB3 ASN A 57 8.269 -52.380 3.707 1.00 14.51 H new ATOM 0 HD21 ASN A 57 6.300 -52.433 0.821 1.00 50.21 H new ATOM 0 HD22 ASN A 57 7.517 -53.189 1.855 1.00 50.21 H new ATOM 845 N PRO A 58 6.368 -53.683 5.570 1.00 1.43 N ATOM 846 CA PRO A 58 6.475 -54.962 6.278 1.00 3.21 C ATOM 847 C PRO A 58 7.771 -55.697 5.954 1.00 61.25 C ATOM 848 O PRO A 58 8.478 -56.155 6.851 1.00 24.01 O ATOM 849 CB PRO A 58 5.269 -55.753 5.766 1.00 51.31 C ATOM 850 CG PRO A 58 4.972 -55.167 4.429 1.00 52.21 C ATOM 851 CD PRO A 58 5.330 -53.710 4.527 1.00 53.45 C ATOM 0 HA PRO A 58 6.487 -54.829 7.360 1.00 3.21 H new ATOM 0 HB2 PRO A 58 5.496 -56.816 5.691 1.00 51.31 H new ATOM 0 HB3 PRO A 58 4.417 -55.656 6.439 1.00 51.31 H new ATOM 0 HG2 PRO A 58 5.553 -55.660 3.649 1.00 52.21 H new ATOM 0 HG3 PRO A 58 3.920 -55.294 4.172 1.00 52.21 H new ATOM 0 HD2 PRO A 58 5.703 -53.323 3.579 1.00 53.45 H new ATOM 0 HD3 PRO A 58 4.468 -53.102 4.802 1.00 53.45 H new ATOM 859 N VAL A 59 8.077 -55.807 4.665 1.00 42.34 N ATOM 860 CA VAL A 59 9.289 -56.485 4.222 1.00 63.23 C ATOM 861 C VAL A 59 10.519 -55.611 4.440 1.00 23.52 C ATOM 862 O VAL A 59 11.621 -56.116 4.656 1.00 2.22 O ATOM 863 CB VAL A 59 9.205 -56.870 2.733 1.00 73.42 C ATOM 864 CG1 VAL A 59 8.054 -57.836 2.495 1.00 13.04 C ATOM 865 CG2 VAL A 59 9.055 -55.627 1.869 1.00 63.11 C ATOM 0 H VAL A 59 7.502 -55.435 3.909 1.00 42.34 H new ATOM 0 HA VAL A 59 9.380 -57.392 4.820 1.00 63.23 H new ATOM 0 HB VAL A 59 10.132 -57.370 2.452 1.00 73.42 H new ATOM 0 HG11 VAL A 59 8.010 -58.097 1.438 1.00 13.04 H new ATOM 0 HG12 VAL A 59 8.209 -58.739 3.085 1.00 13.04 H new ATOM 0 HG13 VAL A 59 7.117 -57.365 2.792 1.00 13.04 H new ATOM 0 HG21 VAL A 59 8.997 -55.918 0.820 1.00 63.11 H new ATOM 0 HG22 VAL A 59 8.145 -55.097 2.149 1.00 63.11 H new ATOM 0 HG23 VAL A 59 9.915 -54.975 2.018 1.00 63.11 H new ATOM 875 N SER A 60 10.323 -54.298 4.383 1.00 22.11 N ATOM 876 CA SER A 60 11.418 -53.353 4.572 1.00 55.15 C ATOM 877 C SER A 60 11.718 -53.159 6.055 1.00 43.34 C ATOM 878 O SER A 60 12.854 -52.876 6.436 1.00 33.41 O ATOM 879 CB SER A 60 11.074 -52.008 3.929 1.00 50.31 C ATOM 880 OG SER A 60 12.242 -51.346 3.476 1.00 42.30 O ATOM 0 H SER A 60 9.417 -53.864 4.208 1.00 22.11 H new ATOM 0 HA SER A 60 12.306 -53.762 4.090 1.00 55.15 H new ATOM 0 HB2 SER A 60 10.393 -52.165 3.092 1.00 50.31 H new ATOM 0 HB3 SER A 60 10.552 -51.379 4.651 1.00 50.31 H new ATOM 0 HG SER A 60 11.995 -50.490 3.068 1.00 42.30 H new ATOM 886 N GLN A 61 10.692 -53.312 6.885 1.00 20.41 N ATOM 887 CA GLN A 61 10.846 -53.153 8.326 1.00 32.33 C ATOM 888 C GLN A 61 11.447 -51.793 8.663 1.00 52.42 C ATOM 889 O GLN A 61 12.353 -51.691 9.491 1.00 51.13 O ATOM 890 CB GLN A 61 11.728 -54.268 8.892 1.00 13.45 C ATOM 891 CG GLN A 61 11.230 -55.665 8.561 1.00 60.23 C ATOM 892 CD GLN A 61 11.740 -56.712 9.531 1.00 22.03 C ATOM 893 OE1 GLN A 61 12.660 -56.458 10.310 1.00 52.13 O ATOM 894 NE2 GLN A 61 11.144 -57.898 9.490 1.00 22.04 N ATOM 0 H GLN A 61 9.746 -53.546 6.585 1.00 20.41 H new ATOM 0 HA GLN A 61 9.857 -53.215 8.780 1.00 32.33 H new ATOM 0 HB2 GLN A 61 12.740 -54.151 8.505 1.00 13.45 H new ATOM 0 HB3 GLN A 61 11.786 -54.159 9.975 1.00 13.45 H new ATOM 0 HG2 GLN A 61 10.140 -55.669 8.568 1.00 60.23 H new ATOM 0 HG3 GLN A 61 11.543 -55.928 7.551 1.00 60.23 H new ATOM 0 HE21 GLN A 61 10.386 -58.065 8.829 1.00 22.04 H new ATOM 0 HE22 GLN A 61 11.445 -58.642 10.120 1.00 22.04 H new ATOM 903 N CYS A 62 10.937 -50.750 8.016 1.00 64.32 N ATOM 904 CA CYS A 62 11.425 -49.395 8.246 1.00 50.13 C ATOM 905 C CYS A 62 12.887 -49.265 7.830 1.00 73.10 C ATOM 906 O CYS A 62 13.783 -49.752 8.518 1.00 3.31 O ATOM 907 CB CYS A 62 11.266 -49.016 9.719 1.00 75.22 C ATOM 908 SG CYS A 62 10.280 -47.525 9.995 1.00 24.54 S ATOM 0 H CYS A 62 10.186 -50.817 7.329 1.00 64.32 H new ATOM 0 HA CYS A 62 10.831 -48.714 7.637 1.00 50.13 H new ATOM 0 HB2 CYS A 62 10.803 -49.848 10.249 1.00 75.22 H new ATOM 0 HB3 CYS A 62 12.255 -48.871 10.155 1.00 75.22 H new ATOM 0 HG CYS A 62 9.831 -47.085 8.857 1.00 24.54 H new ATOM 914 N MET A 63 13.119 -48.607 6.699 1.00 75.01 N ATOM 915 CA MET A 63 14.472 -48.414 6.191 1.00 11.02 C ATOM 916 C MET A 63 14.603 -47.065 5.492 1.00 51.22 C ATOM 917 O MET A 63 15.196 -46.130 6.031 1.00 34.45 O ATOM 918 CB MET A 63 14.843 -49.541 5.225 1.00 53.41 C ATOM 919 CG MET A 63 15.657 -50.651 5.869 1.00 1.44 C ATOM 920 SD MET A 63 16.329 -51.810 4.663 1.00 52.45 S ATOM 921 CE MET A 63 17.836 -50.967 4.186 1.00 54.31 C ATOM 0 H MET A 63 12.388 -48.199 6.117 1.00 75.01 H new ATOM 0 HA MET A 63 15.157 -48.432 7.038 1.00 11.02 H new ATOM 0 HB2 MET A 63 13.930 -49.966 4.808 1.00 53.41 H new ATOM 0 HB3 MET A 63 15.409 -49.123 4.392 1.00 53.41 H new ATOM 0 HG2 MET A 63 16.475 -50.212 6.440 1.00 1.44 H new ATOM 0 HG3 MET A 63 15.029 -51.193 6.577 1.00 1.44 H new ATOM 0 HE1 MET A 63 18.366 -51.562 3.442 1.00 54.31 H new ATOM 0 HE2 MET A 63 17.590 -49.993 3.764 1.00 54.31 H new ATOM 0 HE3 MET A 63 18.471 -50.833 5.062 1.00 54.31 H new ATOM 931 N ARG A 64 14.047 -46.971 4.288 1.00 14.55 N ATOM 932 CA ARG A 64 14.103 -45.736 3.515 1.00 0.12 C ATOM 933 C ARG A 64 13.048 -44.744 3.996 1.00 35.42 C ATOM 934 O ARG A 64 12.324 -45.009 4.956 1.00 45.42 O ATOM 935 CB ARG A 64 13.901 -46.031 2.028 1.00 51.12 C ATOM 936 CG ARG A 64 12.607 -46.767 1.723 1.00 34.45 C ATOM 937 CD ARG A 64 12.008 -46.318 0.400 1.00 60.13 C ATOM 938 NE ARG A 64 12.273 -47.273 -0.673 1.00 31.10 N ATOM 939 CZ ARG A 64 11.728 -48.483 -0.731 1.00 32.11 C ATOM 940 NH1 ARG A 64 10.892 -48.883 0.217 1.00 30.33 N ATOM 941 NH2 ARG A 64 12.018 -49.295 -1.739 1.00 60.23 N ATOM 0 H ARG A 64 13.553 -47.735 3.827 1.00 14.55 H new ATOM 0 HA ARG A 64 15.087 -45.291 3.660 1.00 0.12 H new ATOM 0 HB2 ARG A 64 13.914 -45.092 1.475 1.00 51.12 H new ATOM 0 HB3 ARG A 64 14.741 -46.625 1.667 1.00 51.12 H new ATOM 0 HG2 ARG A 64 12.796 -47.840 1.692 1.00 34.45 H new ATOM 0 HG3 ARG A 64 11.890 -46.593 2.526 1.00 34.45 H new ATOM 0 HD2 ARG A 64 10.932 -46.191 0.514 1.00 60.13 H new ATOM 0 HD3 ARG A 64 12.417 -45.345 0.128 1.00 60.13 H new ATOM 0 HE ARG A 64 12.911 -46.996 -1.419 1.00 31.10 H new ATOM 0 HH11 ARG A 64 10.666 -48.261 0.993 1.00 30.33 H new ATOM 0 HH12 ARG A 64 10.475 -49.813 0.170 1.00 30.33 H new ATOM 0 HH21 ARG A 64 12.660 -48.991 -2.471 1.00 60.23 H new ATOM 0 HH22 ARG A 64 11.599 -50.224 -1.782 1.00 60.23 H new ATOM 955 N GLY A 65 12.966 -43.601 3.322 1.00 32.21 N ATOM 956 CA GLY A 65 11.997 -42.587 3.696 1.00 72.44 C ATOM 957 C GLY A 65 11.673 -41.646 2.553 1.00 73.14 C ATOM 958 O GLY A 65 12.543 -41.311 1.749 1.00 71.24 O ATOM 0 H GLY A 65 13.553 -43.359 2.524 1.00 32.21 H new ATOM 0 HA2 GLY A 65 11.081 -43.071 4.035 1.00 72.44 H new ATOM 0 HA3 GLY A 65 12.384 -42.012 4.538 1.00 72.44 H new ATOM 962 N VAL A 66 10.416 -41.219 2.478 1.00 3.30 N ATOM 963 CA VAL A 66 9.979 -40.311 1.424 1.00 12.35 C ATOM 964 C VAL A 66 10.887 -39.089 1.339 1.00 25.52 C ATOM 965 O VAL A 66 10.964 -38.294 2.275 1.00 5.25 O ATOM 966 CB VAL A 66 8.529 -39.843 1.652 1.00 20.25 C ATOM 967 CG1 VAL A 66 8.107 -38.864 0.568 1.00 12.31 C ATOM 968 CG2 VAL A 66 7.587 -41.036 1.701 1.00 35.31 C ATOM 0 H VAL A 66 9.683 -41.487 3.134 1.00 3.30 H new ATOM 0 HA VAL A 66 10.032 -40.866 0.487 1.00 12.35 H new ATOM 0 HB VAL A 66 8.478 -39.329 2.612 1.00 20.25 H new ATOM 0 HG11 VAL A 66 7.080 -38.545 0.746 1.00 12.31 H new ATOM 0 HG12 VAL A 66 8.765 -37.995 0.586 1.00 12.31 H new ATOM 0 HG13 VAL A 66 8.173 -39.349 -0.406 1.00 12.31 H new ATOM 0 HG21 VAL A 66 6.567 -40.688 1.863 1.00 35.31 H new ATOM 0 HG22 VAL A 66 7.640 -41.580 0.758 1.00 35.31 H new ATOM 0 HG23 VAL A 66 7.879 -41.697 2.518 1.00 35.31 H new ATOM 978 N ARG A 67 11.574 -38.947 0.210 1.00 32.21 N ATOM 979 CA ARG A 67 12.478 -37.823 0.002 1.00 4.24 C ATOM 980 C ARG A 67 11.701 -36.516 -0.123 1.00 41.30 C ATOM 981 O ARG A 67 10.630 -36.473 -0.731 1.00 24.45 O ATOM 982 CB ARG A 67 13.325 -38.047 -1.252 1.00 25.14 C ATOM 983 CG ARG A 67 14.191 -36.854 -1.623 1.00 62.41 C ATOM 984 CD ARG A 67 15.265 -36.598 -0.577 1.00 61.23 C ATOM 985 NE ARG A 67 15.531 -35.173 -0.404 1.00 43.30 N ATOM 986 CZ ARG A 67 16.628 -34.695 0.174 1.00 51.13 C ATOM 987 NH1 ARG A 67 17.556 -35.524 0.631 1.00 73.42 N ATOM 988 NH2 ARG A 67 16.798 -33.385 0.295 1.00 44.55 N ATOM 0 H ARG A 67 11.521 -39.597 -0.575 1.00 32.21 H new ATOM 0 HA ARG A 67 13.136 -37.753 0.869 1.00 4.24 H new ATOM 0 HB2 ARG A 67 13.965 -38.916 -1.098 1.00 25.14 H new ATOM 0 HB3 ARG A 67 12.666 -38.281 -2.088 1.00 25.14 H new ATOM 0 HG2 ARG A 67 14.659 -37.030 -2.591 1.00 62.41 H new ATOM 0 HG3 ARG A 67 13.565 -35.968 -1.728 1.00 62.41 H new ATOM 0 HD2 ARG A 67 14.953 -37.027 0.375 1.00 61.23 H new ATOM 0 HD3 ARG A 67 16.184 -37.106 -0.869 1.00 61.23 H new ATOM 0 HE ARG A 67 14.837 -34.508 -0.745 1.00 43.30 H new ATOM 0 HH11 ARG A 67 17.429 -36.532 0.539 1.00 73.42 H new ATOM 0 HH12 ARG A 67 18.397 -35.154 1.074 1.00 73.42 H new ATOM 0 HH21 ARG A 67 16.086 -32.744 -0.056 1.00 44.55 H new ATOM 0 HH22 ARG A 67 17.640 -33.019 0.739 1.00 44.55 H new ATOM 1002 N LEU A 68 12.246 -35.451 0.456 1.00 64.54 N ATOM 1003 CA LEU A 68 11.604 -34.142 0.409 1.00 23.44 C ATOM 1004 C LEU A 68 12.547 -33.094 -0.171 1.00 44.44 C ATOM 1005 O LEU A 68 13.626 -32.847 0.367 1.00 25.35 O ATOM 1006 CB LEU A 68 11.157 -33.722 1.810 1.00 33.35 C ATOM 1007 CG LEU A 68 10.559 -32.320 1.932 1.00 73.22 C ATOM 1008 CD1 LEU A 68 11.659 -31.284 2.100 1.00 15.54 C ATOM 1009 CD2 LEU A 68 9.702 -31.999 0.716 1.00 50.31 C ATOM 0 H LEU A 68 13.131 -35.469 0.963 1.00 64.54 H new ATOM 0 HA LEU A 68 10.730 -34.216 -0.238 1.00 23.44 H new ATOM 0 HB2 LEU A 68 10.420 -34.442 2.165 1.00 33.35 H new ATOM 0 HB3 LEU A 68 12.015 -33.789 2.479 1.00 33.35 H new ATOM 0 HG LEU A 68 9.924 -32.292 2.817 1.00 73.22 H new ATOM 0 HD11 LEU A 68 11.215 -30.292 2.185 1.00 15.54 H new ATOM 0 HD12 LEU A 68 12.231 -31.504 3.001 1.00 15.54 H new ATOM 0 HD13 LEU A 68 12.321 -31.312 1.234 1.00 15.54 H new ATOM 0 HD21 LEU A 68 9.284 -30.998 0.819 1.00 50.31 H new ATOM 0 HD22 LEU A 68 10.315 -32.045 -0.184 1.00 50.31 H new ATOM 0 HD23 LEU A 68 8.892 -32.724 0.640 1.00 50.31 H new ATOM 1021 N VAL A 69 12.132 -32.477 -1.273 1.00 52.31 N ATOM 1022 CA VAL A 69 12.938 -31.452 -1.925 1.00 54.55 C ATOM 1023 C VAL A 69 12.069 -30.296 -2.410 1.00 4.21 C ATOM 1024 O VAL A 69 11.080 -30.502 -3.111 1.00 75.31 O ATOM 1025 CB VAL A 69 13.719 -32.028 -3.121 1.00 21.31 C ATOM 1026 CG1 VAL A 69 12.793 -32.819 -4.033 1.00 4.02 C ATOM 1027 CG2 VAL A 69 14.415 -30.915 -3.889 1.00 54.23 C ATOM 0 H VAL A 69 11.242 -32.669 -1.733 1.00 52.31 H new ATOM 0 HA VAL A 69 13.645 -31.085 -1.181 1.00 54.55 H new ATOM 0 HB VAL A 69 14.482 -32.707 -2.741 1.00 21.31 H new ATOM 0 HG11 VAL A 69 13.363 -33.218 -4.872 1.00 4.02 H new ATOM 0 HG12 VAL A 69 12.347 -33.641 -3.474 1.00 4.02 H new ATOM 0 HG13 VAL A 69 12.005 -32.165 -4.407 1.00 4.02 H new ATOM 0 HG21 VAL A 69 14.962 -31.340 -4.730 1.00 54.23 H new ATOM 0 HG22 VAL A 69 13.672 -30.209 -4.259 1.00 54.23 H new ATOM 0 HG23 VAL A 69 15.111 -30.397 -3.229 1.00 54.23 H new ATOM 1037 N GLU A 70 12.448 -29.079 -2.031 1.00 61.02 N ATOM 1038 CA GLU A 70 11.703 -27.890 -2.427 1.00 51.15 C ATOM 1039 C GLU A 70 10.239 -28.002 -2.013 1.00 74.31 C ATOM 1040 O GLU A 70 9.361 -27.394 -2.624 1.00 32.10 O ATOM 1041 CB GLU A 70 11.802 -27.679 -3.940 1.00 33.52 C ATOM 1042 CG GLU A 70 13.226 -27.504 -4.438 1.00 42.32 C ATOM 1043 CD GLU A 70 14.022 -26.524 -3.598 1.00 14.24 C ATOM 1044 OE1 GLU A 70 15.103 -26.908 -3.104 1.00 52.31 O ATOM 1045 OE2 GLU A 70 13.563 -25.374 -3.433 1.00 44.01 O ATOM 0 H GLU A 70 13.266 -28.891 -1.451 1.00 61.02 H new ATOM 0 HA GLU A 70 12.142 -27.032 -1.918 1.00 51.15 H new ATOM 0 HB2 GLU A 70 11.351 -28.532 -4.448 1.00 33.52 H new ATOM 0 HB3 GLU A 70 11.219 -26.800 -4.215 1.00 33.52 H new ATOM 0 HG2 GLU A 70 13.729 -28.471 -4.436 1.00 42.32 H new ATOM 0 HG3 GLU A 70 13.205 -27.158 -5.471 1.00 42.32 H new ATOM 1052 N GLY A 71 9.983 -28.786 -0.970 1.00 22.12 N ATOM 1053 CA GLY A 71 8.625 -28.965 -0.491 1.00 72.35 C ATOM 1054 C GLY A 71 7.919 -30.122 -1.171 1.00 54.52 C ATOM 1055 O GLY A 71 7.007 -30.722 -0.601 1.00 50.12 O ATOM 0 H GLY A 71 10.692 -29.301 -0.448 1.00 22.12 H new ATOM 0 HA2 GLY A 71 8.642 -29.136 0.585 1.00 72.35 H new ATOM 0 HA3 GLY A 71 8.060 -28.048 -0.660 1.00 72.35 H new ATOM 1059 N ILE A 72 8.338 -30.433 -2.393 1.00 24.54 N ATOM 1060 CA ILE A 72 7.739 -31.525 -3.150 1.00 41.13 C ATOM 1061 C ILE A 72 8.284 -32.874 -2.695 1.00 61.40 C ATOM 1062 O ILE A 72 9.478 -33.150 -2.825 1.00 34.14 O ATOM 1063 CB ILE A 72 7.990 -31.366 -4.661 1.00 44.24 C ATOM 1064 CG1 ILE A 72 7.401 -30.046 -5.162 1.00 50.33 C ATOM 1065 CG2 ILE A 72 7.396 -32.541 -5.424 1.00 2.42 C ATOM 1066 CD1 ILE A 72 8.433 -29.105 -5.744 1.00 21.11 C ATOM 0 H ILE A 72 9.090 -29.944 -2.880 1.00 24.54 H new ATOM 0 HA ILE A 72 6.666 -31.488 -2.962 1.00 41.13 H new ATOM 0 HB ILE A 72 9.066 -31.352 -4.836 1.00 44.24 H new ATOM 0 HG12 ILE A 72 6.647 -30.259 -5.920 1.00 50.33 H new ATOM 0 HG13 ILE A 72 6.892 -29.548 -4.337 1.00 50.33 H new ATOM 0 HG21 ILE A 72 7.582 -32.414 -6.490 1.00 2.42 H new ATOM 0 HG22 ILE A 72 7.858 -33.467 -5.083 1.00 2.42 H new ATOM 0 HG23 ILE A 72 6.322 -32.585 -5.246 1.00 2.42 H new ATOM 0 HD11 ILE A 72 7.944 -28.190 -6.079 1.00 21.11 H new ATOM 0 HD12 ILE A 72 9.174 -28.862 -4.983 1.00 21.11 H new ATOM 0 HD13 ILE A 72 8.925 -29.584 -6.591 1.00 21.11 H new ATOM 1078 N LEU A 73 7.402 -33.713 -2.163 1.00 21.22 N ATOM 1079 CA LEU A 73 7.794 -35.036 -1.690 1.00 32.45 C ATOM 1080 C LEU A 73 8.070 -35.974 -2.861 1.00 13.14 C ATOM 1081 O LEU A 73 7.164 -36.317 -3.622 1.00 4.22 O ATOM 1082 CB LEU A 73 6.700 -35.625 -0.797 1.00 53.11 C ATOM 1083 CG LEU A 73 6.625 -35.072 0.626 1.00 12.44 C ATOM 1084 CD1 LEU A 73 7.949 -35.271 1.347 1.00 42.01 C ATOM 1085 CD2 LEU A 73 6.243 -33.599 0.607 1.00 54.22 C ATOM 0 H LEU A 73 6.411 -33.501 -2.048 1.00 21.22 H new ATOM 0 HA LEU A 73 8.711 -34.930 -1.110 1.00 32.45 H new ATOM 0 HB2 LEU A 73 5.737 -35.461 -1.280 1.00 53.11 H new ATOM 0 HB3 LEU A 73 6.848 -36.703 -0.739 1.00 53.11 H new ATOM 0 HG LEU A 73 5.854 -35.620 1.167 1.00 12.44 H new ATOM 0 HD11 LEU A 73 7.876 -34.871 2.358 1.00 42.01 H new ATOM 0 HD12 LEU A 73 8.182 -36.335 1.393 1.00 42.01 H new ATOM 0 HD13 LEU A 73 8.739 -34.750 0.807 1.00 42.01 H new ATOM 0 HD21 LEU A 73 6.194 -33.223 1.629 1.00 54.22 H new ATOM 0 HD22 LEU A 73 6.991 -33.036 0.048 1.00 54.22 H new ATOM 0 HD23 LEU A 73 5.270 -33.482 0.130 1.00 54.22 H new ATOM 1097 N HIS A 74 9.326 -36.387 -2.998 1.00 33.31 N ATOM 1098 CA HIS A 74 9.721 -37.288 -4.075 1.00 34.21 C ATOM 1099 C HIS A 74 9.450 -38.741 -3.695 1.00 12.22 C ATOM 1100 O HIS A 74 9.503 -39.105 -2.521 1.00 31.43 O ATOM 1101 CB HIS A 74 11.202 -37.103 -4.406 1.00 32.02 C ATOM 1102 CG HIS A 74 11.469 -36.908 -5.867 1.00 23.44 C ATOM 1103 ND1 HIS A 74 11.137 -37.844 -6.824 1.00 10.33 N ATOM 1104 CD2 HIS A 74 12.040 -35.877 -6.532 1.00 74.25 C ATOM 1105 CE1 HIS A 74 11.493 -37.397 -8.015 1.00 32.01 C ATOM 1106 NE2 HIS A 74 12.042 -36.205 -7.866 1.00 25.31 N ATOM 0 H HIS A 74 10.087 -36.112 -2.377 1.00 33.31 H new ATOM 0 HA HIS A 74 9.127 -37.044 -4.956 1.00 34.21 H new ATOM 0 HB2 HIS A 74 11.584 -36.242 -3.857 1.00 32.02 H new ATOM 0 HB3 HIS A 74 11.756 -37.975 -4.057 1.00 32.02 H new ATOM 0 HD2 HIS A 74 12.423 -34.966 -6.095 1.00 74.25 H new ATOM 0 HE1 HIS A 74 11.358 -37.918 -8.951 1.00 32.01 H new ATOM 0 HE2 HIS A 74 12.408 -35.623 -8.619 1.00 25.31 H new ATOM 1114 N ALA A 75 9.159 -39.565 -4.696 1.00 12.00 N ATOM 1115 CA ALA A 75 8.881 -40.977 -4.467 1.00 30.34 C ATOM 1116 C ALA A 75 10.105 -41.834 -4.770 1.00 64.12 C ATOM 1117 O ALA A 75 11.000 -41.438 -5.517 1.00 43.02 O ATOM 1118 CB ALA A 75 7.698 -41.426 -5.311 1.00 74.40 C ATOM 0 H ALA A 75 9.110 -39.279 -5.674 1.00 12.00 H new ATOM 0 HA ALA A 75 8.631 -41.106 -3.414 1.00 30.34 H new ATOM 0 HB1 ALA A 75 7.502 -42.483 -5.130 1.00 74.40 H new ATOM 0 HB2 ALA A 75 6.817 -40.842 -5.043 1.00 74.40 H new ATOM 0 HB3 ALA A 75 7.926 -41.275 -6.366 1.00 74.40 H new ATOM 1124 N PRO A 76 10.149 -43.037 -4.178 1.00 12.31 N ATOM 1125 CA PRO A 76 11.259 -43.974 -4.370 1.00 61.33 C ATOM 1126 C PRO A 76 11.287 -44.558 -5.779 1.00 24.13 C ATOM 1127 O PRO A 76 10.504 -44.160 -6.642 1.00 24.55 O ATOM 1128 CB PRO A 76 10.978 -45.073 -3.342 1.00 2.43 C ATOM 1129 CG PRO A 76 9.506 -45.019 -3.122 1.00 54.45 C ATOM 1130 CD PRO A 76 9.117 -43.574 -3.275 1.00 71.01 C ATOM 0 HA PRO A 76 12.227 -43.490 -4.243 1.00 61.33 H new ATOM 0 HB2 PRO A 76 11.287 -46.050 -3.713 1.00 2.43 H new ATOM 0 HB3 PRO A 76 11.523 -44.897 -2.415 1.00 2.43 H new ATOM 0 HG2 PRO A 76 8.980 -45.643 -3.845 1.00 54.45 H new ATOM 0 HG3 PRO A 76 9.246 -45.390 -2.131 1.00 54.45 H new ATOM 0 HD2 PRO A 76 8.118 -43.469 -3.699 1.00 71.01 H new ATOM 0 HD3 PRO A 76 9.112 -43.055 -2.316 1.00 71.01 H new ATOM 1138 N ASP A 77 12.193 -45.503 -6.004 1.00 44.02 N ATOM 1139 CA ASP A 77 12.322 -46.143 -7.308 1.00 45.02 C ATOM 1140 C ASP A 77 11.241 -47.201 -7.503 1.00 65.54 C ATOM 1141 O ASP A 77 11.151 -47.823 -8.562 1.00 4.13 O ATOM 1142 CB ASP A 77 13.707 -46.777 -7.454 1.00 53.23 C ATOM 1143 CG ASP A 77 14.667 -45.898 -8.231 1.00 51.14 C ATOM 1144 OD1 ASP A 77 15.689 -46.423 -8.721 1.00 73.23 O ATOM 1145 OD2 ASP A 77 14.396 -44.685 -8.350 1.00 41.25 O ATOM 0 H ASP A 77 12.849 -45.843 -5.301 1.00 44.02 H new ATOM 0 HA ASP A 77 12.199 -45.378 -8.075 1.00 45.02 H new ATOM 0 HB2 ASP A 77 14.119 -46.974 -6.464 1.00 53.23 H new ATOM 0 HB3 ASP A 77 13.612 -47.739 -7.957 1.00 53.23 H new ATOM 1150 N ALA A 78 10.424 -47.402 -6.475 1.00 10.31 N ATOM 1151 CA ALA A 78 9.349 -48.384 -6.534 1.00 32.24 C ATOM 1152 C ALA A 78 7.986 -47.703 -6.594 1.00 73.22 C ATOM 1153 O ALA A 78 7.019 -48.271 -7.100 1.00 70.52 O ATOM 1154 CB ALA A 78 9.421 -49.318 -5.335 1.00 24.41 C ATOM 0 H ALA A 78 10.486 -46.897 -5.591 1.00 10.31 H new ATOM 0 HA ALA A 78 9.475 -48.969 -7.445 1.00 32.24 H new ATOM 0 HB1 ALA A 78 8.612 -50.046 -5.392 1.00 24.41 H new ATOM 0 HB2 ALA A 78 10.379 -49.839 -5.336 1.00 24.41 H new ATOM 0 HB3 ALA A 78 9.324 -48.739 -4.417 1.00 24.41 H new ATOM 1160 N GLY A 79 7.916 -46.482 -6.074 1.00 13.43 N ATOM 1161 CA GLY A 79 6.666 -45.744 -6.078 1.00 51.12 C ATOM 1162 C GLY A 79 6.126 -45.509 -4.681 1.00 45.12 C ATOM 1163 O GLY A 79 6.737 -45.923 -3.695 1.00 55.15 O ATOM 0 H GLY A 79 8.703 -45.990 -5.650 1.00 13.43 H new ATOM 0 HA2 GLY A 79 6.816 -44.784 -6.572 1.00 51.12 H new ATOM 0 HA3 GLY A 79 5.927 -46.291 -6.663 1.00 51.12 H new ATOM 1167 N TRP A 80 4.981 -44.842 -4.596 1.00 4.32 N ATOM 1168 CA TRP A 80 4.361 -44.551 -3.308 1.00 51.43 C ATOM 1169 C TRP A 80 3.889 -45.832 -2.630 1.00 14.44 C ATOM 1170 O TRP A 80 4.310 -46.148 -1.518 1.00 12.11 O ATOM 1171 CB TRP A 80 3.183 -43.592 -3.492 1.00 3.13 C ATOM 1172 CG TRP A 80 3.601 -42.204 -3.873 1.00 61.14 C ATOM 1173 CD1 TRP A 80 3.280 -41.538 -5.022 1.00 30.14 C ATOM 1174 CD2 TRP A 80 4.419 -41.314 -3.106 1.00 54.31 C ATOM 1175 NE1 TRP A 80 3.849 -40.287 -5.014 1.00 73.34 N ATOM 1176 CE2 TRP A 80 4.551 -40.125 -3.850 1.00 5.11 C ATOM 1177 CE3 TRP A 80 5.049 -41.404 -1.862 1.00 64.04 C ATOM 1178 CZ2 TRP A 80 5.290 -39.038 -3.390 1.00 2.02 C ATOM 1179 CZ3 TRP A 80 5.782 -40.325 -1.407 1.00 44.44 C ATOM 1180 CH2 TRP A 80 5.897 -39.154 -2.169 1.00 23.00 C ATOM 0 H TRP A 80 4.463 -44.493 -5.402 1.00 4.32 H new ATOM 0 HA TRP A 80 5.109 -44.079 -2.670 1.00 51.43 H new ATOM 0 HB2 TRP A 80 2.518 -43.987 -4.260 1.00 3.13 H new ATOM 0 HB3 TRP A 80 2.610 -43.550 -2.566 1.00 3.13 H new ATOM 0 HD1 TRP A 80 2.669 -41.936 -5.819 1.00 30.14 H new ATOM 0 HE1 TRP A 80 3.762 -39.592 -5.755 1.00 73.34 H new ATOM 0 HE3 TRP A 80 4.964 -42.301 -1.267 1.00 64.04 H new ATOM 0 HZ2 TRP A 80 5.381 -38.135 -3.976 1.00 2.02 H new ATOM 0 HZ3 TRP A 80 6.275 -40.385 -0.448 1.00 44.44 H new ATOM 0 HH2 TRP A 80 6.476 -38.327 -1.785 1.00 23.00 H new ATOM 1191 N GLY A 81 3.011 -46.566 -3.306 1.00 72.24 N ATOM 1192 CA GLY A 81 2.496 -47.805 -2.752 1.00 43.22 C ATOM 1193 C GLY A 81 1.315 -47.580 -1.829 1.00 23.32 C ATOM 1194 O GLY A 81 0.701 -46.514 -1.844 1.00 23.53 O ATOM 0 H GLY A 81 2.647 -46.325 -4.228 1.00 72.24 H new ATOM 0 HA2 GLY A 81 2.197 -48.466 -3.565 1.00 43.22 H new ATOM 0 HA3 GLY A 81 3.290 -48.312 -2.204 1.00 43.22 H new ATOM 1198 N ASN A 82 0.996 -48.588 -1.024 1.00 34.33 N ATOM 1199 CA ASN A 82 -0.122 -48.497 -0.091 1.00 4.42 C ATOM 1200 C ASN A 82 0.321 -48.856 1.325 1.00 53.25 C ATOM 1201 O ASN A 82 -0.443 -49.436 2.097 1.00 14.22 O ATOM 1202 CB ASN A 82 -1.259 -49.421 -0.532 1.00 5.42 C ATOM 1203 CG ASN A 82 -1.336 -49.563 -2.040 1.00 24.44 C ATOM 1204 OD1 ASN A 82 -1.355 -48.436 -2.740 1.00 13.33 O flip ATOM 1205 ND2 ASN A 82 -1.377 -50.675 -2.568 1.00 43.53 N flip ATOM 0 H ASN A 82 1.495 -49.477 -0.999 1.00 34.33 H new ATOM 0 HA ASN A 82 -0.480 -47.467 -0.091 1.00 4.42 H new ATOM 0 HB2 ASN A 82 -1.119 -50.405 -0.084 1.00 5.42 H new ATOM 0 HB3 ASN A 82 -2.206 -49.032 -0.157 1.00 5.42 H new ATOM 0 HD21 ASN A 82 -1.360 -51.515 -1.990 1.00 43.53 H new ATOM 0 HD22 ASN A 82 -1.428 -50.756 -3.584 1.00 43.53 H new ATOM 1212 N LEU A 83 1.558 -48.507 1.658 1.00 63.00 N ATOM 1213 CA LEU A 83 2.103 -48.792 2.981 1.00 43.40 C ATOM 1214 C LEU A 83 1.831 -47.639 3.942 1.00 53.33 C ATOM 1215 O LEU A 83 1.146 -46.676 3.595 1.00 70.22 O ATOM 1216 CB LEU A 83 3.608 -49.049 2.890 1.00 63.54 C ATOM 1217 CG LEU A 83 4.404 -48.078 2.017 1.00 10.23 C ATOM 1218 CD1 LEU A 83 4.322 -48.484 0.554 1.00 24.42 C ATOM 1219 CD2 LEU A 83 3.899 -46.655 2.206 1.00 14.03 C ATOM 0 H LEU A 83 2.203 -48.026 1.031 1.00 63.00 H new ATOM 0 HA LEU A 83 1.610 -49.685 3.365 1.00 43.40 H new ATOM 0 HB2 LEU A 83 4.022 -49.023 3.898 1.00 63.54 H new ATOM 0 HB3 LEU A 83 3.761 -50.058 2.508 1.00 63.54 H new ATOM 0 HG LEU A 83 5.449 -48.116 2.325 1.00 10.23 H new ATOM 0 HD11 LEU A 83 4.894 -47.781 -0.051 1.00 24.42 H new ATOM 0 HD12 LEU A 83 4.732 -49.486 0.431 1.00 24.42 H new ATOM 0 HD13 LEU A 83 3.281 -48.476 0.232 1.00 24.42 H new ATOM 0 HD21 LEU A 83 4.477 -45.977 1.577 1.00 14.03 H new ATOM 0 HD22 LEU A 83 2.847 -46.602 1.926 1.00 14.03 H new ATOM 0 HD23 LEU A 83 4.011 -46.365 3.251 1.00 14.03 H new ATOM 1231 N VAL A 84 2.373 -47.742 5.151 1.00 42.21 N ATOM 1232 CA VAL A 84 2.192 -46.706 6.161 1.00 34.41 C ATOM 1233 C VAL A 84 3.378 -45.749 6.187 1.00 61.43 C ATOM 1234 O VAL A 84 4.481 -46.100 5.766 1.00 52.24 O ATOM 1235 CB VAL A 84 2.008 -47.316 7.563 1.00 32.44 C ATOM 1236 CG1 VAL A 84 1.471 -46.275 8.533 1.00 40.40 C ATOM 1237 CG2 VAL A 84 1.085 -48.525 7.502 1.00 44.54 C ATOM 0 H VAL A 84 2.941 -48.533 5.455 1.00 42.21 H new ATOM 0 HA VAL A 84 1.291 -46.155 5.891 1.00 34.41 H new ATOM 0 HB VAL A 84 2.981 -47.648 7.925 1.00 32.44 H new ATOM 0 HG11 VAL A 84 1.348 -46.725 9.518 1.00 40.40 H new ATOM 0 HG12 VAL A 84 2.172 -45.443 8.599 1.00 40.40 H new ATOM 0 HG13 VAL A 84 0.507 -45.910 8.178 1.00 40.40 H new ATOM 0 HG21 VAL A 84 0.967 -48.943 8.502 1.00 44.54 H new ATOM 0 HG22 VAL A 84 0.111 -48.220 7.118 1.00 44.54 H new ATOM 0 HG23 VAL A 84 1.515 -49.278 6.842 1.00 44.54 H new ATOM 1247 N TYR A 85 3.145 -44.540 6.684 1.00 52.01 N ATOM 1248 CA TYR A 85 4.194 -43.531 6.763 1.00 41.30 C ATOM 1249 C TYR A 85 4.257 -42.918 8.159 1.00 71.40 C ATOM 1250 O TYR A 85 3.239 -42.785 8.838 1.00 75.13 O ATOM 1251 CB TYR A 85 3.956 -42.434 5.723 1.00 33.33 C ATOM 1252 CG TYR A 85 3.264 -41.211 6.281 1.00 2.12 C ATOM 1253 CD1 TYR A 85 1.884 -41.072 6.200 1.00 0.50 C ATOM 1254 CD2 TYR A 85 3.991 -40.194 6.888 1.00 34.13 C ATOM 1255 CE1 TYR A 85 1.248 -39.955 6.708 1.00 72.24 C ATOM 1256 CE2 TYR A 85 3.363 -39.075 7.400 1.00 73.10 C ATOM 1257 CZ TYR A 85 1.991 -38.960 7.307 1.00 23.11 C ATOM 1258 OH TYR A 85 1.362 -37.846 7.814 1.00 22.32 O ATOM 0 H TYR A 85 2.239 -44.235 7.038 1.00 52.01 H new ATOM 0 HA TYR A 85 5.147 -44.018 6.556 1.00 41.30 H new ATOM 0 HB2 TYR A 85 4.913 -42.136 5.296 1.00 33.33 H new ATOM 0 HB3 TYR A 85 3.356 -42.841 4.909 1.00 33.33 H new ATOM 0 HD1 TYR A 85 1.299 -41.850 5.732 1.00 0.50 H new ATOM 0 HD2 TYR A 85 5.065 -40.280 6.961 1.00 34.13 H new ATOM 0 HE1 TYR A 85 0.174 -39.862 6.636 1.00 72.24 H new ATOM 0 HE2 TYR A 85 3.943 -38.295 7.870 1.00 73.10 H new ATOM 0 HH TYR A 85 0.551 -37.663 7.295 1.00 22.32 H new ATOM 1268 N VAL A 86 5.461 -42.547 8.581 1.00 2.43 N ATOM 1269 CA VAL A 86 5.659 -41.946 9.895 1.00 30.43 C ATOM 1270 C VAL A 86 6.023 -40.471 9.776 1.00 1.23 C ATOM 1271 O VAL A 86 7.059 -40.119 9.211 1.00 20.45 O ATOM 1272 CB VAL A 86 6.763 -42.674 10.684 1.00 24.44 C ATOM 1273 CG1 VAL A 86 6.929 -42.057 12.065 1.00 70.13 C ATOM 1274 CG2 VAL A 86 6.452 -44.160 10.789 1.00 13.44 C ATOM 0 H VAL A 86 6.314 -42.652 8.032 1.00 2.43 H new ATOM 0 HA VAL A 86 4.715 -42.042 10.432 1.00 30.43 H new ATOM 0 HB VAL A 86 7.704 -42.560 10.146 1.00 24.44 H new ATOM 0 HG11 VAL A 86 7.713 -42.585 12.607 1.00 70.13 H new ATOM 0 HG12 VAL A 86 7.202 -41.006 11.964 1.00 70.13 H new ATOM 0 HG13 VAL A 86 5.991 -42.137 12.614 1.00 70.13 H new ATOM 0 HG21 VAL A 86 7.243 -44.658 11.350 1.00 13.44 H new ATOM 0 HG22 VAL A 86 5.501 -44.297 11.303 1.00 13.44 H new ATOM 0 HG23 VAL A 86 6.389 -44.590 9.789 1.00 13.44 H new ATOM 1284 N VAL A 87 5.164 -39.610 10.313 1.00 42.21 N ATOM 1285 CA VAL A 87 5.396 -38.171 10.269 1.00 52.13 C ATOM 1286 C VAL A 87 6.730 -37.809 10.911 1.00 62.10 C ATOM 1287 O VAL A 87 7.305 -38.599 11.659 1.00 13.43 O ATOM 1288 CB VAL A 87 4.269 -37.399 10.981 1.00 24.03 C ATOM 1289 CG1 VAL A 87 3.010 -37.384 10.129 1.00 72.32 C ATOM 1290 CG2 VAL A 87 3.991 -38.005 12.348 1.00 31.44 C ATOM 0 H VAL A 87 4.301 -39.884 10.783 1.00 42.21 H new ATOM 0 HA VAL A 87 5.414 -37.885 9.217 1.00 52.13 H new ATOM 0 HB VAL A 87 4.593 -36.368 11.124 1.00 24.03 H new ATOM 0 HG11 VAL A 87 2.225 -36.834 10.649 1.00 72.32 H new ATOM 0 HG12 VAL A 87 3.222 -36.900 9.176 1.00 72.32 H new ATOM 0 HG13 VAL A 87 2.679 -38.407 9.951 1.00 72.32 H new ATOM 0 HG21 VAL A 87 3.192 -37.448 12.837 1.00 31.44 H new ATOM 0 HG22 VAL A 87 3.688 -39.045 12.230 1.00 31.44 H new ATOM 0 HG23 VAL A 87 4.893 -37.957 12.958 1.00 31.44 H new ATOM 1300 N ASN A 88 7.218 -36.609 10.613 1.00 32.03 N ATOM 1301 CA ASN A 88 8.486 -36.142 11.162 1.00 53.40 C ATOM 1302 C ASN A 88 8.447 -34.638 11.415 1.00 4.42 C ATOM 1303 O ASN A 88 8.297 -33.845 10.485 1.00 12.45 O ATOM 1304 CB ASN A 88 9.634 -36.481 10.209 1.00 54.42 C ATOM 1305 CG ASN A 88 10.951 -36.671 10.935 1.00 2.01 C ATOM 1306 OD1 ASN A 88 10.978 -36.923 12.140 1.00 52.11 O ATOM 1307 ND2 ASN A 88 12.053 -36.551 10.203 1.00 13.34 N ATOM 0 H ASN A 88 6.755 -35.943 9.995 1.00 32.03 H new ATOM 0 HA ASN A 88 8.651 -36.649 12.113 1.00 53.40 H new ATOM 0 HB2 ASN A 88 9.390 -37.391 9.660 1.00 54.42 H new ATOM 0 HB3 ASN A 88 9.739 -35.684 9.473 1.00 54.42 H new ATOM 0 HD21 ASN A 88 12.969 -36.669 10.637 1.00 13.34 H new ATOM 0 HD22 ASN A 88 11.983 -36.341 9.207 1.00 13.34 H new ATOM 1314 N TYR A 89 8.585 -34.253 12.679 1.00 43.40 N ATOM 1315 CA TYR A 89 8.565 -32.844 13.055 1.00 32.14 C ATOM 1316 C TYR A 89 9.872 -32.441 13.731 1.00 62.53 C ATOM 1317 O TYR A 89 9.939 -32.243 14.944 1.00 51.31 O ATOM 1318 CB TYR A 89 7.387 -32.561 13.990 1.00 61.33 C ATOM 1319 CG TYR A 89 6.093 -33.203 13.544 1.00 53.14 C ATOM 1320 CD1 TYR A 89 5.703 -34.442 14.037 1.00 15.24 C ATOM 1321 CD2 TYR A 89 5.260 -32.571 12.628 1.00 64.20 C ATOM 1322 CE1 TYR A 89 4.521 -35.032 13.632 1.00 21.43 C ATOM 1323 CE2 TYR A 89 4.077 -33.153 12.218 1.00 34.54 C ATOM 1324 CZ TYR A 89 3.711 -34.384 12.723 1.00 24.11 C ATOM 1325 OH TYR A 89 2.534 -34.968 12.317 1.00 73.15 O ATOM 0 H TYR A 89 8.712 -34.896 13.460 1.00 43.40 H new ATOM 0 HA TYR A 89 8.450 -32.254 12.146 1.00 32.14 H new ATOM 0 HB2 TYR A 89 7.634 -32.917 14.990 1.00 61.33 H new ATOM 0 HB3 TYR A 89 7.242 -31.483 14.062 1.00 61.33 H new ATOM 0 HD1 TYR A 89 6.334 -34.953 14.749 1.00 15.24 H new ATOM 0 HD2 TYR A 89 5.543 -31.608 12.230 1.00 64.20 H new ATOM 0 HE1 TYR A 89 4.233 -35.996 14.025 1.00 21.43 H new ATOM 0 HE2 TYR A 89 3.442 -32.648 11.506 1.00 34.54 H new ATOM 0 HH TYR A 89 2.082 -34.381 11.676 1.00 73.15 H new ATOM 1335 N PRO A 90 10.938 -32.317 12.926 1.00 25.44 N ATOM 1336 CA PRO A 90 12.264 -31.936 13.423 1.00 62.44 C ATOM 1337 C PRO A 90 12.316 -30.482 13.879 1.00 65.41 C ATOM 1338 O PRO A 90 12.803 -30.180 14.969 1.00 55.21 O ATOM 1339 CB PRO A 90 13.172 -32.149 12.208 1.00 11.34 C ATOM 1340 CG PRO A 90 12.269 -32.010 11.032 1.00 40.44 C ATOM 1341 CD PRO A 90 10.932 -32.539 11.471 1.00 72.13 C ATOM 0 HA PRO A 90 12.555 -32.518 14.297 1.00 62.44 H new ATOM 0 HB2 PRO A 90 13.975 -31.412 12.180 1.00 11.34 H new ATOM 0 HB3 PRO A 90 13.642 -33.132 12.232 1.00 11.34 H new ATOM 0 HG2 PRO A 90 12.193 -30.969 10.719 1.00 40.44 H new ATOM 0 HG3 PRO A 90 12.650 -32.572 10.179 1.00 40.44 H new ATOM 0 HD2 PRO A 90 10.112 -32.009 10.987 1.00 72.13 H new ATOM 0 HD3 PRO A 90 10.818 -33.595 11.226 1.00 72.13 H new ATOM 1349 N LYS A 91 11.812 -29.585 13.039 1.00 45.13 N ATOM 1350 CA LYS A 91 11.800 -28.162 13.356 1.00 54.23 C ATOM 1351 C LYS A 91 11.158 -27.359 12.228 1.00 1.05 C ATOM 1352 O LYS A 91 10.280 -26.530 12.466 1.00 12.32 O ATOM 1353 CB LYS A 91 13.224 -27.661 13.606 1.00 30.21 C ATOM 1354 CG LYS A 91 14.219 -28.105 12.548 1.00 25.23 C ATOM 1355 CD LYS A 91 15.644 -27.752 12.941 1.00 64.54 C ATOM 1356 CE LYS A 91 16.650 -28.687 12.286 1.00 43.21 C ATOM 1357 NZ LYS A 91 18.051 -28.338 12.652 1.00 61.13 N ATOM 0 H LYS A 91 11.406 -29.818 12.133 1.00 45.13 H new ATOM 0 HA LYS A 91 11.209 -28.022 14.261 1.00 54.23 H new ATOM 0 HB2 LYS A 91 13.215 -26.572 13.650 1.00 30.21 H new ATOM 0 HB3 LYS A 91 13.559 -28.016 14.580 1.00 30.21 H new ATOM 0 HG2 LYS A 91 14.138 -29.182 12.399 1.00 25.23 H new ATOM 0 HG3 LYS A 91 13.975 -27.633 11.596 1.00 25.23 H new ATOM 0 HD2 LYS A 91 15.859 -26.724 12.651 1.00 64.54 H new ATOM 0 HD3 LYS A 91 15.748 -27.805 14.025 1.00 64.54 H new ATOM 0 HE2 LYS A 91 16.441 -29.714 12.587 1.00 43.21 H new ATOM 0 HE3 LYS A 91 16.536 -28.642 11.203 1.00 43.21 H new ATOM 0 HZ1 LYS A 91 18.706 -28.998 12.186 1.00 61.13 H new ATOM 0 HZ2 LYS A 91 18.259 -27.367 12.343 1.00 61.13 H new ATOM 0 HZ3 LYS A 91 18.167 -28.405 13.683 1.00 61.13 H new ATOM 1371 N ASP A 92 11.601 -27.612 11.002 1.00 43.20 N ATOM 1372 CA ASP A 92 11.068 -26.914 9.837 1.00 24.35 C ATOM 1373 C ASP A 92 11.464 -27.628 8.548 1.00 35.15 C ATOM 1374 O ASP A 92 11.980 -28.744 8.579 1.00 71.20 O ATOM 1375 CB ASP A 92 11.569 -25.469 9.809 1.00 74.22 C ATOM 1376 CG ASP A 92 10.443 -24.470 9.629 1.00 34.23 C ATOM 1377 OD1 ASP A 92 9.900 -24.383 8.508 1.00 52.53 O ATOM 1378 OD2 ASP A 92 10.103 -23.777 10.610 1.00 4.55 O ATOM 0 H ASP A 92 12.328 -28.295 10.788 1.00 43.20 H new ATOM 0 HA ASP A 92 9.980 -26.912 9.911 1.00 24.35 H new ATOM 0 HB2 ASP A 92 12.098 -25.253 10.737 1.00 74.22 H new ATOM 0 HB3 ASP A 92 12.288 -25.352 8.998 1.00 74.22 H new ATOM 1383 N ASN A 93 11.216 -26.976 7.417 1.00 32.11 N ATOM 1384 CA ASN A 93 11.544 -27.549 6.117 1.00 63.41 C ATOM 1385 C ASN A 93 12.608 -26.716 5.408 1.00 32.31 C ATOM 1386 O ASN A 93 13.704 -27.200 5.124 1.00 50.40 O ATOM 1387 CB ASN A 93 10.290 -27.643 5.246 1.00 32.41 C ATOM 1388 CG ASN A 93 10.617 -27.878 3.784 1.00 21.31 C ATOM 1389 OD1 ASN A 93 11.642 -28.475 3.454 1.00 3.31 O ATOM 1390 ND2 ASN A 93 9.745 -27.409 2.900 1.00 52.42 N ATOM 0 H ASN A 93 10.789 -26.051 7.375 1.00 32.11 H new ATOM 0 HA ASN A 93 11.941 -28.551 6.280 1.00 63.41 H new ATOM 0 HB2 ASN A 93 9.659 -28.454 5.609 1.00 32.41 H new ATOM 0 HB3 ASN A 93 9.714 -26.723 5.343 1.00 32.41 H new ATOM 0 HD21 ASN A 93 9.911 -27.537 1.902 1.00 52.42 H new ATOM 0 HD22 ASN A 93 8.908 -26.920 3.219 1.00 52.42 H new ATOM 1397 N LYS A 94 12.277 -25.461 5.125 1.00 13.14 N ATOM 1398 CA LYS A 94 13.203 -24.558 4.452 1.00 75.24 C ATOM 1399 C LYS A 94 12.765 -23.107 4.617 1.00 14.54 C ATOM 1400 O LYS A 94 13.590 -22.221 4.839 1.00 44.33 O ATOM 1401 CB LYS A 94 13.296 -24.907 2.964 1.00 31.15 C ATOM 1402 CG LYS A 94 11.959 -24.868 2.245 1.00 14.13 C ATOM 1403 CD LYS A 94 12.067 -25.424 0.835 1.00 2.14 C ATOM 1404 CE LYS A 94 11.003 -24.837 -0.079 1.00 13.32 C ATOM 1405 NZ LYS A 94 11.540 -24.538 -1.435 1.00 73.53 N ATOM 0 H LYS A 94 11.373 -25.046 5.352 1.00 13.14 H new ATOM 0 HA LYS A 94 14.185 -24.677 4.910 1.00 75.24 H new ATOM 0 HB2 LYS A 94 13.980 -24.211 2.478 1.00 31.15 H new ATOM 0 HB3 LYS A 94 13.726 -25.903 2.859 1.00 31.15 H new ATOM 0 HG2 LYS A 94 11.225 -25.444 2.809 1.00 14.13 H new ATOM 0 HG3 LYS A 94 11.596 -23.841 2.205 1.00 14.13 H new ATOM 0 HD2 LYS A 94 13.056 -25.205 0.431 1.00 2.14 H new ATOM 0 HD3 LYS A 94 11.967 -26.509 0.862 1.00 2.14 H new ATOM 0 HE2 LYS A 94 10.171 -25.536 -0.164 1.00 13.32 H new ATOM 0 HE3 LYS A 94 10.607 -23.923 0.364 1.00 13.32 H new ATOM 0 HZ1 LYS A 94 11.593 -23.508 -1.568 1.00 73.53 H new ATOM 0 HZ2 LYS A 94 12.491 -24.949 -1.530 1.00 73.53 H new ATOM 0 HZ3 LYS A 94 10.912 -24.948 -2.155 1.00 73.53 H new ATOM 1419 N ARG A 95 11.461 -22.870 4.510 1.00 21.53 N ATOM 1420 CA ARG A 95 10.914 -21.526 4.649 1.00 62.12 C ATOM 1421 C ARG A 95 10.749 -21.155 6.120 1.00 64.13 C ATOM 1422 O ARG A 95 10.661 -22.026 6.985 1.00 34.41 O ATOM 1423 CB ARG A 95 9.567 -21.424 3.932 1.00 34.51 C ATOM 1424 CG ARG A 95 9.579 -20.478 2.743 1.00 11.42 C ATOM 1425 CD ARG A 95 8.274 -20.544 1.965 1.00 44.15 C ATOM 1426 NE ARG A 95 7.675 -19.224 1.788 1.00 72.03 N ATOM 1427 CZ ARG A 95 6.488 -19.025 1.226 1.00 74.51 C ATOM 1428 NH1 ARG A 95 5.777 -20.056 0.789 1.00 15.22 N ATOM 1429 NH2 ARG A 95 6.009 -17.794 1.100 1.00 22.25 N ATOM 0 H ARG A 95 10.764 -23.592 4.327 1.00 21.53 H new ATOM 0 HA ARG A 95 11.615 -20.827 4.193 1.00 62.12 H new ATOM 0 HB2 ARG A 95 9.270 -22.416 3.593 1.00 34.51 H new ATOM 0 HB3 ARG A 95 8.811 -21.091 4.643 1.00 34.51 H new ATOM 0 HG2 ARG A 95 9.746 -19.458 3.090 1.00 11.42 H new ATOM 0 HG3 ARG A 95 10.410 -20.731 2.084 1.00 11.42 H new ATOM 0 HD2 ARG A 95 8.456 -20.993 0.989 1.00 44.15 H new ATOM 0 HD3 ARG A 95 7.572 -21.193 2.489 1.00 44.15 H new ATOM 0 HE ARG A 95 8.197 -18.410 2.114 1.00 72.03 H new ATOM 0 HH11 ARG A 95 6.142 -21.004 0.884 1.00 15.22 H new ATOM 0 HH12 ARG A 95 4.866 -19.901 0.358 1.00 15.22 H new ATOM 0 HH21 ARG A 95 6.553 -16.999 1.435 1.00 22.25 H new ATOM 0 HH22 ARG A 95 5.097 -17.643 0.668 1.00 22.25 H new ATOM 1443 N LYS A 96 10.710 -19.856 6.396 1.00 73.10 N ATOM 1444 CA LYS A 96 10.555 -19.368 7.761 1.00 30.02 C ATOM 1445 C LYS A 96 9.092 -19.061 8.067 1.00 44.02 C ATOM 1446 O LYS A 96 8.336 -18.657 7.184 1.00 1.32 O ATOM 1447 CB LYS A 96 11.406 -18.114 7.976 1.00 20.41 C ATOM 1448 CG LYS A 96 12.892 -18.345 7.766 1.00 45.14 C ATOM 1449 CD LYS A 96 13.412 -17.572 6.565 1.00 61.10 C ATOM 1450 CE LYS A 96 13.479 -16.079 6.849 1.00 34.41 C ATOM 1451 NZ LYS A 96 12.775 -15.284 5.805 1.00 61.10 N ATOM 0 H LYS A 96 10.784 -19.122 5.692 1.00 73.10 H new ATOM 0 HA LYS A 96 10.893 -20.150 8.440 1.00 30.02 H new ATOM 0 HB2 LYS A 96 11.068 -17.334 7.294 1.00 20.41 H new ATOM 0 HB3 LYS A 96 11.244 -17.744 8.988 1.00 20.41 H new ATOM 0 HG2 LYS A 96 13.438 -18.042 8.659 1.00 45.14 H new ATOM 0 HG3 LYS A 96 13.079 -19.409 7.624 1.00 45.14 H new ATOM 0 HD2 LYS A 96 14.403 -17.937 6.297 1.00 61.10 H new ATOM 0 HD3 LYS A 96 12.764 -17.751 5.707 1.00 61.10 H new ATOM 0 HE2 LYS A 96 13.034 -15.874 7.823 1.00 34.41 H new ATOM 0 HE3 LYS A 96 14.522 -15.766 6.902 1.00 34.41 H new ATOM 0 HZ1 LYS A 96 12.843 -14.272 6.034 1.00 61.10 H new ATOM 0 HZ2 LYS A 96 13.215 -15.460 4.879 1.00 61.10 H new ATOM 0 HZ3 LYS A 96 11.774 -15.565 5.771 1.00 61.10 H new ATOM 1465 N MET A 97 8.702 -19.254 9.322 1.00 33.42 N ATOM 1466 CA MET A 97 7.330 -18.995 9.744 1.00 71.13 C ATOM 1467 C MET A 97 6.998 -17.510 9.632 1.00 62.43 C ATOM 1468 O MET A 97 6.056 -17.126 8.938 1.00 3.14 O ATOM 1469 CB MET A 97 7.117 -19.470 11.182 1.00 4.15 C ATOM 1470 CG MET A 97 7.135 -20.983 11.332 1.00 55.51 C ATOM 1471 SD MET A 97 5.497 -21.717 11.155 1.00 42.53 S ATOM 1472 CE MET A 97 5.666 -23.172 12.184 1.00 35.44 C ATOM 0 H MET A 97 9.316 -19.589 10.065 1.00 33.42 H new ATOM 0 HA MET A 97 6.663 -19.549 9.084 1.00 71.13 H new ATOM 0 HB2 MET A 97 7.893 -19.041 11.816 1.00 4.15 H new ATOM 0 HB3 MET A 97 6.162 -19.089 11.544 1.00 4.15 H new ATOM 0 HG2 MET A 97 7.803 -21.411 10.585 1.00 55.51 H new ATOM 0 HG3 MET A 97 7.542 -21.243 12.309 1.00 55.51 H new ATOM 0 HE1 MET A 97 4.732 -23.733 12.177 1.00 35.44 H new ATOM 0 HE2 MET A 97 6.469 -23.800 11.798 1.00 35.44 H new ATOM 0 HE3 MET A 97 5.900 -22.870 13.205 1.00 35.44 H new ATOM 1482 N ASP A 98 7.777 -16.681 10.318 1.00 61.41 N ATOM 1483 CA ASP A 98 7.566 -15.239 10.295 1.00 41.34 C ATOM 1484 C ASP A 98 6.131 -14.893 10.680 1.00 2.03 C ATOM 1485 O ASP A 98 5.375 -14.352 9.874 1.00 63.32 O ATOM 1486 CB ASP A 98 7.884 -14.678 8.908 1.00 52.43 C ATOM 1487 CG ASP A 98 9.372 -14.500 8.682 1.00 4.22 C ATOM 1488 OD1 ASP A 98 9.818 -14.635 7.523 1.00 14.20 O ATOM 1489 OD2 ASP A 98 10.092 -14.225 9.665 1.00 41.43 O ATOM 0 H ASP A 98 8.560 -16.983 10.897 1.00 61.41 H new ATOM 0 HA ASP A 98 8.238 -14.787 11.025 1.00 41.34 H new ATOM 0 HB2 ASP A 98 7.482 -15.347 8.148 1.00 52.43 H new ATOM 0 HB3 ASP A 98 7.383 -13.718 8.784 1.00 52.43 H new ATOM 1494 N GLU A 99 5.764 -15.210 11.918 1.00 75.12 N ATOM 1495 CA GLU A 99 4.418 -14.934 12.409 1.00 65.43 C ATOM 1496 C GLU A 99 4.466 -14.275 13.784 1.00 52.51 C ATOM 1497 O GLU A 99 5.536 -13.918 14.279 1.00 71.45 O ATOM 1498 CB GLU A 99 3.602 -16.227 12.479 1.00 43.21 C ATOM 1499 CG GLU A 99 3.999 -17.136 13.630 1.00 1.51 C ATOM 1500 CD GLU A 99 3.932 -18.605 13.263 1.00 64.20 C ATOM 1501 OE1 GLU A 99 4.755 -19.385 13.787 1.00 2.02 O ATOM 1502 OE2 GLU A 99 3.058 -18.976 12.452 1.00 43.41 O ATOM 0 H GLU A 99 6.378 -15.657 12.598 1.00 75.12 H new ATOM 0 HA GLU A 99 3.938 -14.247 11.712 1.00 65.43 H new ATOM 0 HB2 GLU A 99 2.546 -15.975 12.574 1.00 43.21 H new ATOM 0 HB3 GLU A 99 3.717 -16.771 11.541 1.00 43.21 H new ATOM 0 HG2 GLU A 99 5.012 -16.891 13.949 1.00 1.51 H new ATOM 0 HG3 GLU A 99 3.343 -16.947 14.480 1.00 1.51 H new ATOM 1509 N THR A 100 3.297 -14.114 14.397 1.00 2.32 N ATOM 1510 CA THR A 100 3.204 -13.496 15.714 1.00 53.53 C ATOM 1511 C THR A 100 4.018 -14.270 16.744 1.00 43.43 C ATOM 1512 O THR A 100 3.573 -15.297 17.256 1.00 5.23 O ATOM 1513 CB THR A 100 1.742 -13.410 16.191 1.00 11.54 C ATOM 1514 OG1 THR A 100 1.145 -14.711 16.179 1.00 22.25 O ATOM 1515 CG2 THR A 100 0.938 -12.469 15.306 1.00 33.42 C ATOM 0 H THR A 100 2.402 -14.403 14.002 1.00 2.32 H new ATOM 0 HA THR A 100 3.608 -12.488 15.620 1.00 53.53 H new ATOM 0 HB THR A 100 1.738 -13.019 17.208 1.00 11.54 H new ATOM 0 HG1 THR A 100 1.752 -15.353 16.603 1.00 22.25 H new ATOM 0 HG21 THR A 100 -0.091 -12.425 15.663 1.00 33.42 H new ATOM 0 HG22 THR A 100 1.377 -11.472 15.341 1.00 33.42 H new ATOM 0 HG23 THR A 100 0.951 -12.835 14.279 1.00 33.42 H new ATOM 1523 N ASP A 101 5.212 -13.770 17.043 1.00 24.40 N ATOM 1524 CA ASP A 101 6.089 -14.415 18.014 1.00 11.22 C ATOM 1525 C ASP A 101 6.972 -13.387 18.715 1.00 62.11 C ATOM 1526 O ASP A 101 7.161 -12.276 18.220 1.00 21.31 O ATOM 1527 CB ASP A 101 6.958 -15.469 17.328 1.00 64.34 C ATOM 1528 CG ASP A 101 7.572 -16.445 18.313 1.00 53.22 C ATOM 1529 OD1 ASP A 101 8.738 -16.842 18.107 1.00 73.43 O ATOM 1530 OD2 ASP A 101 6.886 -16.810 19.290 1.00 2.13 O ATOM 0 H ASP A 101 5.595 -12.921 16.627 1.00 24.40 H new ATOM 0 HA ASP A 101 5.465 -14.903 18.763 1.00 11.22 H new ATOM 0 HB2 ASP A 101 6.355 -16.018 16.605 1.00 64.34 H new ATOM 0 HB3 ASP A 101 7.752 -14.973 16.769 1.00 64.34 H new ATOM 1535 N ALA A 102 7.510 -13.766 19.870 1.00 54.31 N ATOM 1536 CA ALA A 102 8.373 -12.878 20.638 1.00 4.30 C ATOM 1537 C ALA A 102 9.730 -13.523 20.901 1.00 34.32 C ATOM 1538 O ALA A 102 9.822 -14.535 21.597 1.00 53.33 O ATOM 1539 CB ALA A 102 7.705 -12.496 21.950 1.00 33.24 C ATOM 0 H ALA A 102 7.363 -14.682 20.294 1.00 54.31 H new ATOM 0 HA ALA A 102 8.537 -11.975 20.051 1.00 4.30 H new ATOM 0 HB1 ALA A 102 8.362 -11.832 22.513 1.00 33.24 H new ATOM 0 HB2 ALA A 102 6.764 -11.986 21.744 1.00 33.24 H new ATOM 0 HB3 ALA A 102 7.510 -13.395 22.534 1.00 33.24 H new ATOM 1545 N SER A 103 10.780 -12.933 20.340 1.00 11.42 N ATOM 1546 CA SER A 103 12.131 -13.453 20.511 1.00 62.32 C ATOM 1547 C SER A 103 13.043 -12.403 21.139 1.00 34.52 C ATOM 1548 O SER A 103 14.169 -12.194 20.689 1.00 12.40 O ATOM 1549 CB SER A 103 12.702 -13.900 19.164 1.00 62.04 C ATOM 1550 OG SER A 103 13.989 -14.472 19.320 1.00 44.24 O ATOM 0 H SER A 103 10.721 -12.094 19.763 1.00 11.42 H new ATOM 0 HA SER A 103 12.081 -14.312 21.180 1.00 62.32 H new ATOM 0 HB2 SER A 103 12.031 -14.626 18.704 1.00 62.04 H new ATOM 0 HB3 SER A 103 12.759 -13.046 18.489 1.00 62.04 H new ATOM 0 HG SER A 103 14.570 -13.844 19.798 1.00 44.24 H new ATOM 1556 N SER A 104 12.546 -11.747 22.183 1.00 44.31 N ATOM 1557 CA SER A 104 13.313 -10.715 22.872 1.00 23.51 C ATOM 1558 C SER A 104 13.899 -11.253 24.174 1.00 31.13 C ATOM 1559 O SER A 104 13.183 -11.807 25.008 1.00 55.42 O ATOM 1560 CB SER A 104 12.430 -9.500 23.160 1.00 31.23 C ATOM 1561 OG SER A 104 11.124 -9.898 23.540 1.00 53.40 O ATOM 0 H SER A 104 11.617 -11.911 22.570 1.00 44.31 H new ATOM 0 HA SER A 104 14.134 -10.412 22.222 1.00 23.51 H new ATOM 0 HB2 SER A 104 12.877 -8.902 23.954 1.00 31.23 H new ATOM 0 HB3 SER A 104 12.377 -8.866 22.275 1.00 31.23 H new ATOM 0 HG SER A 104 10.579 -9.103 23.720 1.00 53.40 H new ATOM 1567 N ALA A 105 15.207 -11.086 24.341 1.00 13.42 N ATOM 1568 CA ALA A 105 15.889 -11.552 25.542 1.00 44.43 C ATOM 1569 C ALA A 105 17.291 -10.959 25.641 1.00 12.34 C ATOM 1570 O ALA A 105 18.275 -11.600 25.274 1.00 70.43 O ATOM 1571 CB ALA A 105 15.955 -13.072 25.555 1.00 2.41 C ATOM 0 H ALA A 105 15.815 -10.632 23.660 1.00 13.42 H new ATOM 0 HA ALA A 105 15.318 -11.217 26.408 1.00 44.43 H new ATOM 0 HB1 ALA A 105 16.467 -13.406 26.457 1.00 2.41 H new ATOM 0 HB2 ALA A 105 14.944 -13.480 25.539 1.00 2.41 H new ATOM 0 HB3 ALA A 105 16.501 -13.420 24.678 1.00 2.41 H new ATOM 1577 N VAL A 106 17.374 -9.729 26.140 1.00 22.44 N ATOM 1578 CA VAL A 106 18.656 -9.050 26.289 1.00 54.22 C ATOM 1579 C VAL A 106 18.951 -8.748 27.754 1.00 63.04 C ATOM 1580 O VAL A 106 18.045 -8.459 28.535 1.00 33.30 O ATOM 1581 CB VAL A 106 18.689 -7.735 25.488 1.00 44.40 C ATOM 1582 CG1 VAL A 106 17.616 -6.779 25.985 1.00 13.22 C ATOM 1583 CG2 VAL A 106 20.066 -7.094 25.574 1.00 25.03 C ATOM 0 H VAL A 106 16.569 -9.183 26.448 1.00 22.44 H new ATOM 0 HA VAL A 106 19.419 -9.724 25.900 1.00 54.22 H new ATOM 0 HB VAL A 106 18.483 -7.962 24.442 1.00 44.40 H new ATOM 0 HG11 VAL A 106 17.655 -5.856 25.407 1.00 13.22 H new ATOM 0 HG12 VAL A 106 16.635 -7.240 25.867 1.00 13.22 H new ATOM 0 HG13 VAL A 106 17.787 -6.555 27.038 1.00 13.22 H new ATOM 0 HG21 VAL A 106 20.072 -6.166 25.002 1.00 25.03 H new ATOM 0 HG22 VAL A 106 20.303 -6.880 26.616 1.00 25.03 H new ATOM 0 HG23 VAL A 106 20.811 -7.776 25.165 1.00 25.03 H new ATOM 1593 N LYS A 107 20.227 -8.816 28.120 1.00 34.12 N ATOM 1594 CA LYS A 107 20.644 -8.549 29.491 1.00 4.52 C ATOM 1595 C LYS A 107 22.110 -8.129 29.541 1.00 21.24 C ATOM 1596 O LYS A 107 23.004 -8.927 29.258 1.00 3.41 O ATOM 1597 CB LYS A 107 20.427 -9.787 30.363 1.00 21.24 C ATOM 1598 CG LYS A 107 19.823 -9.476 31.722 1.00 71.23 C ATOM 1599 CD LYS A 107 18.316 -9.301 31.635 1.00 60.21 C ATOM 1600 CE LYS A 107 17.700 -9.083 33.008 1.00 21.45 C ATOM 1601 NZ LYS A 107 16.751 -7.936 33.015 1.00 4.42 N ATOM 0 H LYS A 107 20.990 -9.054 27.486 1.00 34.12 H new ATOM 0 HA LYS A 107 20.036 -7.731 29.876 1.00 4.52 H new ATOM 0 HB2 LYS A 107 19.775 -10.483 29.835 1.00 21.24 H new ATOM 0 HB3 LYS A 107 21.382 -10.292 30.506 1.00 21.24 H new ATOM 0 HG2 LYS A 107 20.057 -10.281 32.418 1.00 71.23 H new ATOM 0 HG3 LYS A 107 20.273 -8.568 32.122 1.00 71.23 H new ATOM 0 HD2 LYS A 107 18.084 -8.452 30.992 1.00 60.21 H new ATOM 0 HD3 LYS A 107 17.872 -10.182 31.172 1.00 60.21 H new ATOM 0 HE2 LYS A 107 17.178 -9.988 33.320 1.00 21.45 H new ATOM 0 HE3 LYS A 107 18.491 -8.904 33.736 1.00 21.45 H new ATOM 0 HZ1 LYS A 107 16.353 -7.821 33.969 1.00 4.42 H new ATOM 0 HZ2 LYS A 107 17.254 -7.068 32.742 1.00 4.42 H new ATOM 0 HZ3 LYS A 107 15.982 -8.117 32.339 1.00 4.42 H new ATOM 1615 N VAL A 108 22.350 -6.873 29.905 1.00 74.30 N ATOM 1616 CA VAL A 108 23.707 -6.349 29.995 1.00 62.11 C ATOM 1617 C VAL A 108 23.968 -5.730 31.363 1.00 14.24 C ATOM 1618 O VAL A 108 23.090 -5.094 31.947 1.00 53.31 O ATOM 1619 CB VAL A 108 23.974 -5.293 28.906 1.00 1.43 C ATOM 1620 CG1 VAL A 108 24.052 -5.946 27.535 1.00 33.41 C ATOM 1621 CG2 VAL A 108 22.899 -4.217 28.933 1.00 34.11 C ATOM 0 H VAL A 108 21.622 -6.200 30.142 1.00 74.30 H new ATOM 0 HA VAL A 108 24.382 -7.192 29.847 1.00 62.11 H new ATOM 0 HB VAL A 108 24.935 -4.820 29.111 1.00 1.43 H new ATOM 0 HG11 VAL A 108 24.241 -5.184 26.779 1.00 33.41 H new ATOM 0 HG12 VAL A 108 24.862 -6.676 27.525 1.00 33.41 H new ATOM 0 HG13 VAL A 108 23.109 -6.447 27.317 1.00 33.41 H new ATOM 0 HG21 VAL A 108 23.103 -3.479 28.157 1.00 34.11 H new ATOM 0 HG22 VAL A 108 21.925 -4.672 28.754 1.00 34.11 H new ATOM 0 HG23 VAL A 108 22.898 -3.728 29.907 1.00 34.11 H new ATOM 1631 N LYS A 109 25.181 -5.919 31.871 1.00 33.32 N ATOM 1632 CA LYS A 109 25.560 -5.378 33.171 1.00 33.31 C ATOM 1633 C LYS A 109 26.920 -4.692 33.099 1.00 22.43 C ATOM 1634 O LYS A 109 27.954 -5.317 33.337 1.00 20.14 O ATOM 1635 CB LYS A 109 25.593 -6.492 34.220 1.00 30.20 C ATOM 1636 CG LYS A 109 24.240 -7.138 34.465 1.00 62.05 C ATOM 1637 CD LYS A 109 23.702 -6.800 35.845 1.00 63.21 C ATOM 1638 CE LYS A 109 22.811 -7.909 36.382 1.00 30.35 C ATOM 1639 NZ LYS A 109 23.040 -8.150 37.834 1.00 32.21 N ATOM 0 H LYS A 109 25.919 -6.443 31.402 1.00 33.32 H new ATOM 0 HA LYS A 109 24.814 -4.637 33.460 1.00 33.31 H new ATOM 0 HB2 LYS A 109 26.300 -7.258 33.902 1.00 30.20 H new ATOM 0 HB3 LYS A 109 25.967 -6.084 35.159 1.00 30.20 H new ATOM 0 HG2 LYS A 109 23.533 -6.803 33.706 1.00 62.05 H new ATOM 0 HG3 LYS A 109 24.328 -8.220 34.363 1.00 62.05 H new ATOM 0 HD2 LYS A 109 24.533 -6.635 36.531 1.00 63.21 H new ATOM 0 HD3 LYS A 109 23.138 -5.869 35.799 1.00 63.21 H new ATOM 0 HE2 LYS A 109 21.766 -7.647 36.218 1.00 30.35 H new ATOM 0 HE3 LYS A 109 23.000 -8.828 35.827 1.00 30.35 H new ATOM 0 HZ1 LYS A 109 22.414 -8.913 38.162 1.00 32.21 H new ATOM 0 HZ2 LYS A 109 24.031 -8.425 37.988 1.00 32.21 H new ATOM 0 HZ3 LYS A 109 22.835 -7.281 38.367 1.00 32.21 H new ATOM 1653 N ARG A 110 26.912 -3.405 32.771 1.00 10.41 N ATOM 1654 CA ARG A 110 28.146 -2.634 32.669 1.00 74.44 C ATOM 1655 C ARG A 110 28.519 -2.024 34.016 1.00 21.14 C ATOM 1656 O ARG A 110 28.020 -0.962 34.388 1.00 61.33 O ATOM 1657 CB ARG A 110 27.997 -1.530 31.620 1.00 31.14 C ATOM 1658 CG ARG A 110 28.766 -1.801 30.337 1.00 15.24 C ATOM 1659 CD ARG A 110 30.264 -1.645 30.542 1.00 2.23 C ATOM 1660 NE ARG A 110 30.925 -1.100 29.359 1.00 33.21 N ATOM 1661 CZ ARG A 110 32.225 -0.838 29.299 1.00 44.50 C ATOM 1662 NH1 ARG A 110 33.001 -1.069 30.349 1.00 0.32 N ATOM 1663 NH2 ARG A 110 32.753 -0.343 28.186 1.00 11.14 N ATOM 0 H ARG A 110 26.065 -2.873 32.571 1.00 10.41 H new ATOM 0 HA ARG A 110 28.944 -3.311 32.363 1.00 74.44 H new ATOM 0 HB2 ARG A 110 26.941 -1.407 31.381 1.00 31.14 H new ATOM 0 HB3 ARG A 110 28.339 -0.587 32.046 1.00 31.14 H new ATOM 0 HG2 ARG A 110 28.549 -2.810 29.988 1.00 15.24 H new ATOM 0 HG3 ARG A 110 28.431 -1.115 29.559 1.00 15.24 H new ATOM 0 HD2 ARG A 110 30.447 -0.990 31.394 1.00 2.23 H new ATOM 0 HD3 ARG A 110 30.699 -2.614 30.786 1.00 2.23 H new ATOM 0 HE ARG A 110 30.356 -0.910 28.534 1.00 33.21 H new ATOM 0 HH11 ARG A 110 32.599 -1.449 31.206 1.00 0.32 H new ATOM 0 HH12 ARG A 110 33.999 -0.867 30.300 1.00 0.32 H new ATOM 0 HH21 ARG A 110 32.160 -0.164 27.376 1.00 11.14 H new ATOM 0 HH22 ARG A 110 33.752 -0.142 28.141 1.00 11.14 H new ATOM 1677 N ALA A 111 29.400 -2.703 34.744 1.00 34.51 N ATOM 1678 CA ALA A 111 29.841 -2.228 36.049 1.00 11.23 C ATOM 1679 C ALA A 111 31.316 -1.843 36.023 1.00 1.42 C ATOM 1680 O ALA A 111 32.178 -2.668 35.722 1.00 44.12 O ATOM 1681 CB ALA A 111 29.589 -3.289 37.110 1.00 2.35 C ATOM 0 H ALA A 111 29.822 -3.584 34.451 1.00 34.51 H new ATOM 0 HA ALA A 111 29.264 -1.337 36.298 1.00 11.23 H new ATOM 0 HB1 ALA A 111 29.923 -2.920 38.080 1.00 2.35 H new ATOM 0 HB2 ALA A 111 28.523 -3.513 37.155 1.00 2.35 H new ATOM 0 HB3 ALA A 111 30.140 -4.195 36.857 1.00 2.35 H new ATOM 1687 N VAL A 112 31.600 -0.583 36.340 1.00 31.32 N ATOM 1688 CA VAL A 112 32.971 -0.089 36.353 1.00 4.34 C ATOM 1689 C VAL A 112 33.813 -0.831 37.385 1.00 4.00 C ATOM 1690 O VAL A 112 33.328 -1.180 38.461 1.00 70.55 O ATOM 1691 CB VAL A 112 33.021 1.421 36.657 1.00 71.45 C ATOM 1692 CG1 VAL A 112 32.525 1.699 38.067 1.00 20.44 C ATOM 1693 CG2 VAL A 112 34.431 1.956 36.463 1.00 4.51 C ATOM 0 H VAL A 112 30.898 0.113 36.591 1.00 31.32 H new ATOM 0 HA VAL A 112 33.380 -0.266 35.358 1.00 4.34 H new ATOM 0 HB VAL A 112 32.362 1.937 35.959 1.00 71.45 H new ATOM 0 HG11 VAL A 112 32.568 2.770 38.263 1.00 20.44 H new ATOM 0 HG12 VAL A 112 31.496 1.353 38.166 1.00 20.44 H new ATOM 0 HG13 VAL A 112 33.155 1.173 38.785 1.00 20.44 H new ATOM 0 HG21 VAL A 112 34.448 3.024 36.682 1.00 4.51 H new ATOM 0 HG22 VAL A 112 35.113 1.436 37.136 1.00 4.51 H new ATOM 0 HG23 VAL A 112 34.744 1.792 35.432 1.00 4.51 H new ATOM 1703 N GLN A 113 35.077 -1.068 37.049 1.00 4.34 N ATOM 1704 CA GLN A 113 35.987 -1.769 37.947 1.00 22.15 C ATOM 1705 C GLN A 113 36.824 -0.782 38.755 1.00 51.03 C ATOM 1706 O GLN A 113 37.097 0.331 38.304 1.00 22.22 O ATOM 1707 CB GLN A 113 36.903 -2.702 37.153 1.00 20.12 C ATOM 1708 CG GLN A 113 37.286 -3.966 37.907 1.00 53.50 C ATOM 1709 CD GLN A 113 37.702 -5.093 36.983 1.00 40.11 C ATOM 1710 OE1 GLN A 113 36.936 -5.517 36.117 1.00 14.42 O ATOM 1711 NE2 GLN A 113 38.922 -5.585 37.162 1.00 61.42 N ATOM 0 H GLN A 113 35.494 -0.785 36.162 1.00 4.34 H new ATOM 0 HA GLN A 113 35.389 -2.361 38.639 1.00 22.15 H new ATOM 0 HB2 GLN A 113 36.407 -2.980 36.223 1.00 20.12 H new ATOM 0 HB3 GLN A 113 37.810 -2.162 36.881 1.00 20.12 H new ATOM 0 HG2 GLN A 113 38.104 -3.742 38.592 1.00 53.50 H new ATOM 0 HG3 GLN A 113 36.442 -4.292 38.514 1.00 53.50 H new ATOM 0 HE21 GLN A 113 39.524 -5.204 37.892 1.00 61.42 H new ATOM 0 HE22 GLN A 113 39.258 -6.344 36.570 1.00 61.42 H new ATOM 1720 N LYS A 114 37.228 -1.196 39.951 1.00 60.23 N ATOM 1721 CA LYS A 114 38.035 -0.350 40.822 1.00 54.32 C ATOM 1722 C LYS A 114 39.522 -0.616 40.614 1.00 21.44 C ATOM 1723 O LYS A 114 40.296 0.303 40.344 1.00 74.42 O ATOM 1724 CB LYS A 114 37.662 -0.589 42.287 1.00 43.32 C ATOM 1725 CG LYS A 114 37.000 0.607 42.949 1.00 52.01 C ATOM 1726 CD LYS A 114 35.680 0.225 43.599 1.00 65.35 C ATOM 1727 CE LYS A 114 34.770 1.432 43.762 1.00 34.34 C ATOM 1728 NZ LYS A 114 35.059 2.179 45.018 1.00 71.41 N ATOM 0 H LYS A 114 37.009 -2.113 40.340 1.00 60.23 H new ATOM 0 HA LYS A 114 37.832 0.690 40.567 1.00 54.32 H new ATOM 0 HB2 LYS A 114 36.990 -1.445 42.347 1.00 43.32 H new ATOM 0 HB3 LYS A 114 38.562 -0.850 42.844 1.00 43.32 H new ATOM 0 HG2 LYS A 114 37.670 1.025 43.701 1.00 52.01 H new ATOM 0 HG3 LYS A 114 36.829 1.386 42.207 1.00 52.01 H new ATOM 0 HD2 LYS A 114 35.180 -0.530 42.993 1.00 65.35 H new ATOM 0 HD3 LYS A 114 35.870 -0.223 44.574 1.00 65.35 H new ATOM 0 HE2 LYS A 114 34.893 2.097 42.907 1.00 34.34 H new ATOM 0 HE3 LYS A 114 33.730 1.105 43.765 1.00 34.34 H new ATOM 0 HZ1 LYS A 114 34.418 2.994 45.092 1.00 71.41 H new ATOM 0 HZ2 LYS A 114 34.918 1.552 45.835 1.00 71.41 H new ATOM 0 HZ3 LYS A 114 36.044 2.513 45.004 1.00 71.41 H new TER 1742 LYS A 114