USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A -21 HIS : no HD1:sc= -0.565 X(o=-2.1,f=-2.5) USER MOD Set 1.2: A -24 HIS :FLIP no HD1:sc= -1.53 F(o=-4.4!,f=-2.1) USER MOD Set 2.1: A -22 HIS : no HD1:sc=-0.00271 X(o=-0.0027,f=-0.0019) USER MOD Set 2.2: A -23 HIS : no HD1:sc= 0 K(o=-0.0027,f=-1.1) USER MOD Set 3.1: A 26 TYR OH : rot 79:sc= -1.3! USER MOD Set 3.2: A 40 GLN : amide:sc= 0.532 K(o=-0.77,f=-3.4) USER MOD Set 4.1: A 6 HIS : no HD1:sc= -0.0316 K(o=-0.032,f=-1.1) USER MOD Set 4.2: A 36 TYR OH : rot 120:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00984 USER MOD Single : A -1 SER OG : rot -130:sc= 0.223 USER MOD Single : A -3 MET CE :methyl 171:sc= -0.11 (180deg=-0.242) USER MOD Single : A -6 GLN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A -8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0984 X(o=-0.098,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.19 K(o=1.2,f=-0.016) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0.0124 USER MOD Single : A 23 GLN : amide:sc= -0.0006 X(o=-0.0006,f=0) USER MOD Single : A 24 THR OG1 : rot 99:sc= 0.323! USER MOD Single : A 29 ASN : amide:sc= -0.451 K(o=-0.45,f=-3.7!) USER MOD Single : A 32 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.6!) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.428) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -116:sc= 1.24 USER MOD Single : A 45 GLN :FLIP amide:sc= -2.56 F(o=-3.7,f=-2.6) USER MOD Single : A 47 GLN : amide:sc= 0.88 K(o=0.88,f=-5.8!) USER MOD Single : A 58 MET CE :methyl 175:sc= -1.43 (180deg=-1.47) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 2.02 (180deg=-0.93!) USER MOD Single : A 61 SER OG : rot 101:sc= 0.149 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.11) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 72 SER OG : rot 180:sc= 0.107 USER MOD Single : A 73 SER OG : rot 150:sc= 0.563 USER MOD Single : A 76 THR OG1 : rot 43:sc= 0.493 USER MOD Single : A 78 SER OG : rot 180:sc= -0.102 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A -10 ASN : amide:sc= -0.342 K(o=-0.34,f=-5.3!) USER MOD Single : A -12 THR OG1 : rot 126:sc= 1.36 USER MOD Single : A -13 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -19 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A -20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -26 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER N :NH3+ 132:sc= 0.638 (180deg=0.0535) USER MOD Single : A -27 SER OG : rot 180:sc= 0.263 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -37.994 4.454 -15.716 1.00 0.00 N ATOM 2 CA SER A -27 -37.042 3.333 -15.456 1.00 0.00 C ATOM 3 C SER A -27 -35.938 3.330 -16.521 1.00 0.00 C ATOM 4 O SER A -27 -36.213 3.265 -17.707 1.00 0.00 O ATOM 5 CB SER A -27 -37.888 2.051 -15.542 1.00 0.00 C ATOM 6 OG SER A -27 -39.260 2.360 -15.266 1.00 0.00 O ATOM 0 H1 SER A -27 -38.970 4.099 -15.668 1.00 0.00 H new ATOM 0 H2 SER A -27 -37.860 5.196 -15.000 1.00 0.00 H new ATOM 0 H3 SER A -27 -37.815 4.849 -16.661 1.00 0.00 H new ATOM 0 HA SER A -27 -36.552 3.422 -14.487 1.00 0.00 H new ATOM 0 HB2 SER A -27 -37.797 1.609 -16.534 1.00 0.00 H new ATOM 0 HB3 SER A -27 -37.521 1.313 -14.829 1.00 0.00 H new ATOM 0 HG SER A -27 -39.797 1.542 -15.323 1.00 0.00 H new ATOM 14 N TYR A -26 -34.697 3.410 -16.114 1.00 0.00 N ATOM 15 CA TYR A -26 -33.583 3.417 -17.109 1.00 0.00 C ATOM 16 C TYR A -26 -32.678 2.195 -16.903 1.00 0.00 C ATOM 17 O TYR A -26 -33.008 1.289 -16.158 1.00 0.00 O ATOM 18 CB TYR A -26 -32.814 4.710 -16.826 1.00 0.00 C ATOM 19 CG TYR A -26 -33.155 5.754 -17.865 1.00 0.00 C ATOM 20 CD1 TYR A -26 -34.452 6.273 -17.941 1.00 0.00 C ATOM 21 CD2 TYR A -26 -32.164 6.213 -18.740 1.00 0.00 C ATOM 22 CE1 TYR A -26 -34.758 7.251 -18.893 1.00 0.00 C ATOM 23 CE2 TYR A -26 -32.473 7.188 -19.694 1.00 0.00 C ATOM 24 CZ TYR A -26 -33.768 7.709 -19.769 1.00 0.00 C ATOM 25 OH TYR A -26 -34.066 8.680 -20.702 1.00 0.00 O ATOM 0 H TYR A -26 -34.407 3.471 -15.138 1.00 0.00 H new ATOM 0 HA TYR A -26 -33.944 3.371 -18.136 1.00 0.00 H new ATOM 0 HB2 TYR A -26 -33.063 5.080 -15.832 1.00 0.00 H new ATOM 0 HB3 TYR A -26 -31.742 4.514 -16.834 1.00 0.00 H new ATOM 0 HD1 TYR A -26 -35.216 5.919 -17.265 1.00 0.00 H new ATOM 0 HD2 TYR A -26 -31.162 5.815 -18.679 1.00 0.00 H new ATOM 0 HE1 TYR A -26 -35.759 7.653 -18.952 1.00 0.00 H new ATOM 0 HE2 TYR A -26 -31.710 7.539 -20.373 1.00 0.00 H new ATOM 0 HH TYR A -26 -33.265 8.884 -21.229 1.00 0.00 H new ATOM 35 N TYR A -25 -31.536 2.175 -17.543 1.00 0.00 N ATOM 36 CA TYR A -25 -30.597 1.017 -17.384 1.00 0.00 C ATOM 37 C TYR A -25 -30.111 0.931 -15.931 1.00 0.00 C ATOM 38 O TYR A -25 -29.862 -0.142 -15.411 1.00 0.00 O ATOM 39 CB TYR A -25 -29.409 1.310 -18.317 1.00 0.00 C ATOM 40 CG TYR A -25 -29.749 0.925 -19.740 1.00 0.00 C ATOM 41 CD1 TYR A -25 -30.794 1.568 -20.419 1.00 0.00 C ATOM 42 CD2 TYR A -25 -29.020 -0.084 -20.381 1.00 0.00 C ATOM 43 CE1 TYR A -25 -31.104 1.207 -21.733 1.00 0.00 C ATOM 44 CE2 TYR A -25 -29.330 -0.446 -21.696 1.00 0.00 C ATOM 45 CZ TYR A -25 -30.374 0.199 -22.371 1.00 0.00 C ATOM 46 OH TYR A -25 -30.685 -0.168 -23.665 1.00 0.00 O ATOM 0 H TYR A -25 -31.211 2.911 -18.170 1.00 0.00 H new ATOM 0 HA TYR A -25 -31.080 0.071 -17.629 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -29.155 2.369 -18.271 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -28.531 0.756 -17.984 1.00 0.00 H new ATOM 0 HD1 TYR A -25 -31.360 2.344 -19.925 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -28.217 -0.584 -19.859 1.00 0.00 H new ATOM 0 HE1 TYR A -25 -31.907 1.706 -22.255 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -28.765 -1.222 -22.190 1.00 0.00 H new ATOM 0 HH TYR A -25 -30.080 -0.881 -23.957 1.00 0.00 H new ATOM 56 N HIS A -24 -29.968 2.055 -15.274 1.00 0.00 N ATOM 57 CA HIS A -24 -29.497 2.047 -13.851 1.00 0.00 C ATOM 58 C HIS A -24 -30.672 2.249 -12.896 1.00 0.00 C ATOM 59 O HIS A -24 -31.772 2.578 -13.306 1.00 0.00 O ATOM 60 CB HIS A -24 -28.501 3.213 -13.726 1.00 0.00 C ATOM 61 CG HIS A -24 -29.115 4.498 -14.236 1.00 0.00 C ATOM 62 ND1 HIS A -24 -30.302 5.132 -13.955 1.00 0.00 N flip ATOM 63 CD2 HIS A -24 -28.479 5.295 -15.174 1.00 0.00 C flip ATOM 64 CE1 HIS A -24 -30.403 6.298 -14.704 1.00 0.00 C flip ATOM 65 NE2 HIS A -24 -29.279 6.349 -15.422 1.00 0.00 N flip ATOM 0 H HIS A -24 -30.157 2.980 -15.661 1.00 0.00 H new ATOM 0 HA HIS A -24 -29.033 1.095 -13.593 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -28.204 3.334 -12.684 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -27.596 2.987 -14.291 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -27.516 5.105 -15.625 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -31.216 7.009 -14.705 1.00 0.00 H new ATOM 0 HE2 HIS A -24 -29.054 7.096 -16.079 1.00 0.00 H new ATOM 73 N HIS A -23 -30.448 2.068 -11.619 1.00 0.00 N ATOM 74 CA HIS A -23 -31.546 2.267 -10.628 1.00 0.00 C ATOM 75 C HIS A -23 -31.364 3.626 -9.948 1.00 0.00 C ATOM 76 O HIS A -23 -32.097 4.560 -10.210 1.00 0.00 O ATOM 77 CB HIS A -23 -31.412 1.117 -9.621 1.00 0.00 C ATOM 78 CG HIS A -23 -32.717 0.924 -8.900 1.00 0.00 C ATOM 79 ND1 HIS A -23 -32.880 1.220 -7.554 1.00 0.00 N ATOM 80 CD2 HIS A -23 -33.933 0.465 -9.333 1.00 0.00 C ATOM 81 CE1 HIS A -23 -34.157 0.937 -7.230 1.00 0.00 C ATOM 82 NE2 HIS A -23 -34.841 0.473 -8.280 1.00 0.00 N ATOM 0 H HIS A -23 -29.551 1.791 -11.221 1.00 0.00 H new ATOM 0 HA HIS A -23 -32.535 2.262 -11.086 1.00 0.00 H new ATOM 0 HB2 HIS A -23 -31.131 0.199 -10.137 1.00 0.00 H new ATOM 0 HB3 HIS A -23 -30.619 1.337 -8.906 1.00 0.00 H new ATOM 0 HD2 HIS A -23 -34.153 0.145 -10.341 1.00 0.00 H new ATOM 0 HE1 HIS A -23 -34.576 1.069 -6.243 1.00 0.00 H new ATOM 0 HE2 HIS A -23 -35.820 0.186 -8.304 1.00 0.00 H new ATOM 90 N HIS A -22 -30.376 3.748 -9.096 1.00 0.00 N ATOM 91 CA HIS A -22 -30.122 5.056 -8.419 1.00 0.00 C ATOM 92 C HIS A -22 -29.148 5.886 -9.263 1.00 0.00 C ATOM 93 O HIS A -22 -29.135 7.099 -9.192 1.00 0.00 O ATOM 94 CB HIS A -22 -29.496 4.711 -7.062 1.00 0.00 C ATOM 95 CG HIS A -22 -30.507 4.009 -6.197 1.00 0.00 C ATOM 96 ND1 HIS A -22 -30.203 2.855 -5.493 1.00 0.00 N ATOM 97 CD2 HIS A -22 -31.820 4.284 -5.913 1.00 0.00 C ATOM 98 CE1 HIS A -22 -31.310 2.481 -4.828 1.00 0.00 C ATOM 99 NE2 HIS A -22 -32.326 3.320 -5.048 1.00 0.00 N ATOM 0 H HIS A -22 -29.734 2.997 -8.840 1.00 0.00 H new ATOM 0 HA HIS A -22 -31.034 5.639 -8.295 1.00 0.00 H new ATOM 0 HB2 HIS A -22 -28.623 4.075 -7.206 1.00 0.00 H new ATOM 0 HB3 HIS A -22 -29.151 5.620 -6.569 1.00 0.00 H new ATOM 0 HD2 HIS A -22 -32.377 5.123 -6.303 1.00 0.00 H new ATOM 0 HE1 HIS A -22 -31.370 1.609 -4.194 1.00 0.00 H new ATOM 0 HE2 HIS A -22 -33.269 3.265 -4.664 1.00 0.00 H new ATOM 107 N HIS A -21 -28.331 5.224 -10.060 1.00 0.00 N ATOM 108 CA HIS A -21 -27.335 5.925 -10.932 1.00 0.00 C ATOM 109 C HIS A -21 -26.300 6.681 -10.089 1.00 0.00 C ATOM 110 O HIS A -21 -25.163 6.267 -9.987 1.00 0.00 O ATOM 111 CB HIS A -21 -28.143 6.887 -11.813 1.00 0.00 C ATOM 112 CG HIS A -21 -27.237 7.531 -12.833 1.00 0.00 C ATOM 113 ND1 HIS A -21 -27.717 8.418 -13.787 1.00 0.00 N ATOM 114 CD2 HIS A -21 -25.885 7.428 -13.065 1.00 0.00 C ATOM 115 CE1 HIS A -21 -26.673 8.808 -14.540 1.00 0.00 C ATOM 116 NE2 HIS A -21 -25.532 8.235 -14.143 1.00 0.00 N ATOM 0 H HIS A -21 -28.317 4.207 -10.140 1.00 0.00 H new ATOM 0 HA HIS A -21 -26.772 5.216 -11.539 1.00 0.00 H new ATOM 0 HB2 HIS A -21 -28.945 6.347 -12.316 1.00 0.00 H new ATOM 0 HB3 HIS A -21 -28.612 7.653 -11.195 1.00 0.00 H new ATOM 0 HD2 HIS A -21 -25.201 6.814 -12.497 1.00 0.00 H new ATOM 0 HE1 HIS A -21 -26.747 9.500 -15.366 1.00 0.00 H new ATOM 0 HE2 HIS A -21 -24.603 8.362 -14.544 1.00 0.00 H new ATOM 124 N HIS A -20 -26.672 7.781 -9.494 1.00 0.00 N ATOM 125 CA HIS A -20 -25.689 8.550 -8.681 1.00 0.00 C ATOM 126 C HIS A -20 -25.765 8.145 -7.206 1.00 0.00 C ATOM 127 O HIS A -20 -26.482 8.743 -6.422 1.00 0.00 O ATOM 128 CB HIS A -20 -26.078 10.015 -8.863 1.00 0.00 C ATOM 129 CG HIS A -20 -24.938 10.892 -8.430 1.00 0.00 C ATOM 130 ND1 HIS A -20 -23.898 11.238 -9.281 1.00 0.00 N ATOM 131 CD2 HIS A -20 -24.665 11.503 -7.236 1.00 0.00 C ATOM 132 CE1 HIS A -20 -23.058 12.026 -8.585 1.00 0.00 C ATOM 133 NE2 HIS A -20 -23.479 12.220 -7.334 1.00 0.00 N ATOM 0 H HIS A -20 -27.610 8.179 -9.535 1.00 0.00 H new ATOM 0 HA HIS A -20 -24.664 8.360 -8.998 1.00 0.00 H new ATOM 0 HB2 HIS A -20 -26.325 10.210 -9.907 1.00 0.00 H new ATOM 0 HB3 HIS A -20 -26.969 10.242 -8.277 1.00 0.00 H new ATOM 0 HD2 HIS A -20 -25.280 11.438 -6.350 1.00 0.00 H new ATOM 0 HE1 HIS A -20 -22.152 12.451 -8.991 1.00 0.00 H new ATOM 0 HE2 HIS A -20 -23.028 12.775 -6.607 1.00 0.00 H new ATOM 141 N HIS A -19 -25.011 7.150 -6.818 1.00 0.00 N ATOM 142 CA HIS A -19 -25.013 6.725 -5.386 1.00 0.00 C ATOM 143 C HIS A -19 -24.362 7.828 -4.544 1.00 0.00 C ATOM 144 O HIS A -19 -23.240 8.233 -4.804 1.00 0.00 O ATOM 145 CB HIS A -19 -24.181 5.440 -5.339 1.00 0.00 C ATOM 146 CG HIS A -19 -24.012 4.989 -3.913 1.00 0.00 C ATOM 147 ND1 HIS A -19 -25.081 4.860 -3.038 1.00 0.00 N ATOM 148 CD2 HIS A -19 -22.898 4.632 -3.196 1.00 0.00 C ATOM 149 CE1 HIS A -19 -24.588 4.442 -1.857 1.00 0.00 C ATOM 150 NE2 HIS A -19 -23.262 4.288 -1.899 1.00 0.00 N ATOM 0 H HIS A -19 -24.395 6.614 -7.429 1.00 0.00 H new ATOM 0 HA HIS A -19 -26.016 6.554 -4.994 1.00 0.00 H new ATOM 0 HB2 HIS A -19 -24.670 4.659 -5.921 1.00 0.00 H new ATOM 0 HB3 HIS A -19 -23.205 5.612 -5.793 1.00 0.00 H new ATOM 0 HD2 HIS A -19 -21.889 4.620 -3.581 1.00 0.00 H new ATOM 0 HE1 HIS A -19 -25.192 4.254 -0.982 1.00 0.00 H new ATOM 0 HE2 HIS A -19 -22.649 3.984 -1.143 1.00 0.00 H new ATOM 158 N ASP A -18 -25.060 8.328 -3.559 1.00 0.00 N ATOM 159 CA ASP A -18 -24.495 9.423 -2.710 1.00 0.00 C ATOM 160 C ASP A -18 -23.672 8.844 -1.554 1.00 0.00 C ATOM 161 O ASP A -18 -23.359 7.667 -1.526 1.00 0.00 O ATOM 162 CB ASP A -18 -25.714 10.188 -2.176 1.00 0.00 C ATOM 163 CG ASP A -18 -25.400 11.682 -2.118 1.00 0.00 C ATOM 164 OD1 ASP A -18 -24.525 12.052 -1.360 1.00 0.00 O ATOM 165 OD2 ASP A -18 -26.039 12.430 -2.832 1.00 0.00 O ATOM 0 H ASP A -18 -26.000 8.026 -3.303 1.00 0.00 H new ATOM 0 HA ASP A -18 -23.824 10.069 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A -18 -26.576 10.013 -2.820 1.00 0.00 H new ATOM 0 HB3 ASP A -18 -25.978 9.823 -1.183 1.00 0.00 H new ATOM 170 N TYR A -17 -23.322 9.666 -0.602 1.00 0.00 N ATOM 171 CA TYR A -17 -22.521 9.179 0.566 1.00 0.00 C ATOM 172 C TYR A -17 -23.470 8.679 1.666 1.00 0.00 C ATOM 173 O TYR A -17 -24.612 8.324 1.406 1.00 0.00 O ATOM 174 CB TYR A -17 -21.745 10.408 1.075 1.00 0.00 C ATOM 175 CG TYR A -17 -20.888 11.006 -0.018 1.00 0.00 C ATOM 176 CD1 TYR A -17 -19.597 10.514 -0.238 1.00 0.00 C ATOM 177 CD2 TYR A -17 -21.378 12.059 -0.797 1.00 0.00 C ATOM 178 CE1 TYR A -17 -18.798 11.077 -1.237 1.00 0.00 C ATOM 179 CE2 TYR A -17 -20.578 12.620 -1.799 1.00 0.00 C ATOM 180 CZ TYR A -17 -19.289 12.129 -2.018 1.00 0.00 C ATOM 181 OH TYR A -17 -18.495 12.684 -2.998 1.00 0.00 O ATOM 0 H TYR A -17 -23.556 10.659 -0.580 1.00 0.00 H new ATOM 0 HA TYR A -17 -21.855 8.360 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A -17 -22.446 11.158 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A -17 -21.116 10.121 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A -17 -19.218 9.701 0.363 1.00 0.00 H new ATOM 0 HD2 TYR A -17 -22.374 12.439 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A -17 -17.800 10.700 -1.406 1.00 0.00 H new ATOM 0 HE2 TYR A -17 -20.957 13.432 -2.402 1.00 0.00 H new ATOM 0 HH TYR A -17 -18.986 13.402 -3.449 1.00 0.00 H new ATOM 191 N ASP A -16 -23.018 8.692 2.894 1.00 0.00 N ATOM 192 CA ASP A -16 -23.867 8.272 4.036 1.00 0.00 C ATOM 193 C ASP A -16 -23.717 9.327 5.123 1.00 0.00 C ATOM 194 O ASP A -16 -22.619 9.705 5.483 1.00 0.00 O ATOM 195 CB ASP A -16 -23.315 6.921 4.503 1.00 0.00 C ATOM 196 CG ASP A -16 -24.452 6.073 5.079 1.00 0.00 C ATOM 197 OD1 ASP A -16 -25.403 5.825 4.361 1.00 0.00 O ATOM 198 OD2 ASP A -16 -24.358 5.687 6.230 1.00 0.00 O ATOM 0 H ASP A -16 -22.075 8.983 3.152 1.00 0.00 H new ATOM 0 HA ASP A -16 -24.922 8.175 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A -16 -22.846 6.400 3.668 1.00 0.00 H new ATOM 0 HB3 ASP A -16 -22.543 7.073 5.257 1.00 0.00 H new ATOM 203 N ILE A -15 -24.799 9.827 5.622 1.00 0.00 N ATOM 204 CA ILE A -15 -24.720 10.891 6.666 1.00 0.00 C ATOM 205 C ILE A -15 -24.312 10.276 8.007 1.00 0.00 C ATOM 206 O ILE A -15 -24.737 9.187 8.345 1.00 0.00 O ATOM 207 CB ILE A -15 -26.134 11.484 6.747 1.00 0.00 C ATOM 208 CG1 ILE A -15 -26.569 11.971 5.358 1.00 0.00 C ATOM 209 CG2 ILE A -15 -26.146 12.667 7.721 1.00 0.00 C ATOM 210 CD1 ILE A -15 -27.909 12.702 5.463 1.00 0.00 C ATOM 0 H ILE A -15 -25.744 9.549 5.357 1.00 0.00 H new ATOM 0 HA ILE A -15 -23.979 11.654 6.426 1.00 0.00 H new ATOM 0 HB ILE A -15 -26.822 10.716 7.099 1.00 0.00 H new ATOM 0 HG12 ILE A -15 -25.813 12.637 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A -15 -26.658 11.125 4.677 1.00 0.00 H new ATOM 0 HG21 ILE A -15 -27.152 13.084 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A -15 -25.841 12.327 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A -15 -25.454 13.433 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A -15 -28.214 13.046 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A -15 -28.664 12.023 5.860 1.00 0.00 H new ATOM 0 HD13 ILE A -15 -27.805 13.558 6.129 1.00 0.00 H new ATOM 222 N PRO A -14 -23.481 10.989 8.727 1.00 0.00 N ATOM 223 CA PRO A -14 -23.000 10.501 10.043 1.00 0.00 C ATOM 224 C PRO A -14 -24.145 10.431 11.059 1.00 0.00 C ATOM 225 O PRO A -14 -24.579 11.440 11.593 1.00 0.00 O ATOM 226 CB PRO A -14 -21.942 11.528 10.448 1.00 0.00 C ATOM 227 CG PRO A -14 -22.313 12.767 9.698 1.00 0.00 C ATOM 228 CD PRO A -14 -22.926 12.311 8.402 1.00 0.00 C ATOM 0 HA PRO A -14 -22.598 9.489 10.000 1.00 0.00 H new ATOM 0 HB2 PRO A -14 -21.948 11.700 11.524 1.00 0.00 H new ATOM 0 HB3 PRO A -14 -20.940 11.190 10.184 1.00 0.00 H new ATOM 0 HG2 PRO A -14 -23.018 13.371 10.270 1.00 0.00 H new ATOM 0 HG3 PRO A -14 -21.436 13.388 9.516 1.00 0.00 H new ATOM 0 HD2 PRO A -14 -23.701 12.998 8.061 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -22.183 12.249 7.607 1.00 0.00 H new ATOM 236 N THR A -13 -24.621 9.251 11.337 1.00 0.00 N ATOM 237 CA THR A -13 -25.715 9.086 12.335 1.00 0.00 C ATOM 238 C THR A -13 -25.124 8.463 13.610 1.00 0.00 C ATOM 239 O THR A -13 -23.927 8.538 13.839 1.00 0.00 O ATOM 240 CB THR A -13 -26.736 8.156 11.672 1.00 0.00 C ATOM 241 OG1 THR A -13 -26.110 6.931 11.318 1.00 0.00 O ATOM 242 CG2 THR A -13 -27.303 8.816 10.416 1.00 0.00 C ATOM 0 H THR A -13 -24.296 8.383 10.911 1.00 0.00 H new ATOM 0 HA THR A -13 -26.187 10.026 12.620 1.00 0.00 H new ATOM 0 HB THR A -13 -27.546 7.962 12.375 1.00 0.00 H new ATOM 0 HG1 THR A -13 -26.766 6.338 10.896 1.00 0.00 H new ATOM 0 HG21 THR A -13 -28.028 8.149 9.950 1.00 0.00 H new ATOM 0 HG22 THR A -13 -27.792 9.752 10.686 1.00 0.00 H new ATOM 0 HG23 THR A -13 -26.494 9.019 9.715 1.00 0.00 H new ATOM 250 N THR A -12 -25.930 7.856 14.442 1.00 0.00 N ATOM 251 CA THR A -12 -25.388 7.244 15.694 1.00 0.00 C ATOM 252 C THR A -12 -24.730 5.893 15.389 1.00 0.00 C ATOM 253 O THR A -12 -23.544 5.701 15.600 1.00 0.00 O ATOM 254 CB THR A -12 -26.612 7.062 16.603 1.00 0.00 C ATOM 255 OG1 THR A -12 -27.768 6.793 15.807 1.00 0.00 O ATOM 256 CG2 THR A -12 -26.846 8.340 17.400 1.00 0.00 C ATOM 0 H THR A -12 -26.937 7.757 14.310 1.00 0.00 H new ATOM 0 HA THR A -12 -24.622 7.863 16.160 1.00 0.00 H new ATOM 0 HB THR A -12 -26.433 6.228 17.282 1.00 0.00 H new ATOM 0 HG1 THR A -12 -28.189 5.962 16.111 1.00 0.00 H new ATOM 0 HG21 THR A -12 -27.715 8.212 18.046 1.00 0.00 H new ATOM 0 HG22 THR A -12 -25.969 8.554 18.010 1.00 0.00 H new ATOM 0 HG23 THR A -12 -27.022 9.169 16.715 1.00 0.00 H new ATOM 264 N GLU A -11 -25.499 4.961 14.899 1.00 0.00 N ATOM 265 CA GLU A -11 -24.953 3.598 14.578 1.00 0.00 C ATOM 266 C GLU A -11 -23.954 3.626 13.415 1.00 0.00 C ATOM 267 O GLU A -11 -23.330 2.630 13.108 1.00 0.00 O ATOM 268 CB GLU A -11 -26.172 2.744 14.207 1.00 0.00 C ATOM 269 CG GLU A -11 -27.050 2.530 15.440 1.00 0.00 C ATOM 270 CD GLU A -11 -28.382 3.240 15.240 1.00 0.00 C ATOM 271 OE1 GLU A -11 -29.200 2.724 14.503 1.00 0.00 O ATOM 272 OE2 GLU A -11 -28.560 4.294 15.817 1.00 0.00 O ATOM 0 H GLU A -11 -26.493 5.080 14.703 1.00 0.00 H new ATOM 0 HA GLU A -11 -24.404 3.199 15.431 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -26.746 3.235 13.421 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -25.846 1.783 13.810 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -27.214 1.465 15.603 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -26.549 2.915 16.328 1.00 0.00 H new ATOM 279 N ASN A -10 -23.799 4.739 12.768 1.00 0.00 N ATOM 280 CA ASN A -10 -22.841 4.804 11.620 1.00 0.00 C ATOM 281 C ASN A -10 -21.429 5.161 12.093 1.00 0.00 C ATOM 282 O ASN A -10 -20.491 5.153 11.321 1.00 0.00 O ATOM 283 CB ASN A -10 -23.397 5.891 10.695 1.00 0.00 C ATOM 284 CG ASN A -10 -22.703 5.840 9.327 1.00 0.00 C ATOM 285 OD1 ASN A -10 -22.108 4.841 8.964 1.00 0.00 O ATOM 286 ND2 ASN A -10 -22.764 6.878 8.536 1.00 0.00 N ATOM 0 H ASN A -10 -24.289 5.609 12.977 1.00 0.00 H new ATOM 0 HA ASN A -10 -22.754 3.842 11.115 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -24.471 5.755 10.570 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -23.250 6.872 11.147 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -22.315 6.849 7.621 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -23.261 7.718 8.834 1.00 0.00 H new ATOM 293 N LEU A -9 -21.268 5.454 13.351 1.00 0.00 N ATOM 294 CA LEU A -9 -19.914 5.813 13.883 1.00 0.00 C ATOM 295 C LEU A -9 -18.901 4.699 13.591 1.00 0.00 C ATOM 296 O LEU A -9 -17.741 4.959 13.344 1.00 0.00 O ATOM 297 CB LEU A -9 -20.099 5.977 15.401 1.00 0.00 C ATOM 298 CG LEU A -9 -20.078 7.460 15.787 1.00 0.00 C ATOM 299 CD1 LEU A -9 -18.788 8.104 15.285 1.00 0.00 C ATOM 300 CD2 LEU A -9 -21.278 8.167 15.161 1.00 0.00 C ATOM 0 H LEU A -9 -22.017 5.462 14.043 1.00 0.00 H new ATOM 0 HA LEU A -9 -19.530 6.720 13.417 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -21.044 5.528 15.709 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -19.307 5.446 15.929 1.00 0.00 H new ATOM 0 HG LEU A -9 -20.128 7.551 16.872 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -18.776 9.158 15.561 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -17.932 7.602 15.735 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -18.734 8.012 14.200 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -21.263 9.222 15.436 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -21.230 8.074 14.076 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -22.199 7.711 15.524 1.00 0.00 H new ATOM 312 N TYR A -8 -19.329 3.467 13.618 1.00 0.00 N ATOM 313 CA TYR A -8 -18.386 2.337 13.344 1.00 0.00 C ATOM 314 C TYR A -8 -18.350 1.992 11.849 1.00 0.00 C ATOM 315 O TYR A -8 -17.727 1.029 11.446 1.00 0.00 O ATOM 316 CB TYR A -8 -18.917 1.153 14.161 1.00 0.00 C ATOM 317 CG TYR A -8 -18.115 1.009 15.431 1.00 0.00 C ATOM 318 CD1 TYR A -8 -16.921 0.280 15.428 1.00 0.00 C ATOM 319 CD2 TYR A -8 -18.573 1.594 16.617 1.00 0.00 C ATOM 320 CE1 TYR A -8 -16.184 0.141 16.607 1.00 0.00 C ATOM 321 CE2 TYR A -8 -17.836 1.456 17.795 1.00 0.00 C ATOM 322 CZ TYR A -8 -16.642 0.727 17.792 1.00 0.00 C ATOM 323 OH TYR A -8 -15.913 0.594 18.955 1.00 0.00 O ATOM 0 H TYR A -8 -20.290 3.190 13.818 1.00 0.00 H new ATOM 0 HA TYR A -8 -17.364 2.597 13.621 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -19.969 1.307 14.400 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -18.854 0.237 13.574 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -16.569 -0.175 14.514 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -19.497 2.153 16.621 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -15.261 -0.419 16.603 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -18.188 1.912 18.709 1.00 0.00 H new ATOM 0 HH TYR A -8 -16.371 1.062 19.684 1.00 0.00 H new ATOM 333 N PHE A -7 -19.023 2.752 11.033 1.00 0.00 N ATOM 334 CA PHE A -7 -19.047 2.461 9.564 1.00 0.00 C ATOM 335 C PHE A -7 -18.567 3.667 8.752 1.00 0.00 C ATOM 336 O PHE A -7 -17.973 3.514 7.702 1.00 0.00 O ATOM 337 CB PHE A -7 -20.516 2.153 9.246 1.00 0.00 C ATOM 338 CG PHE A -7 -20.852 0.747 9.683 1.00 0.00 C ATOM 339 CD1 PHE A -7 -21.282 0.508 10.993 1.00 0.00 C ATOM 340 CD2 PHE A -7 -20.742 -0.314 8.777 1.00 0.00 C ATOM 341 CE1 PHE A -7 -21.597 -0.790 11.403 1.00 0.00 C ATOM 342 CE2 PHE A -7 -21.060 -1.616 9.184 1.00 0.00 C ATOM 343 CZ PHE A -7 -21.488 -1.855 10.497 1.00 0.00 C ATOM 0 H PHE A -7 -19.563 3.569 11.318 1.00 0.00 H new ATOM 0 HA PHE A -7 -18.383 1.635 9.307 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -21.165 2.866 9.755 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -20.697 2.264 8.177 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -21.371 1.329 11.689 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -20.412 -0.129 7.765 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -21.924 -0.973 12.416 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -20.975 -2.436 8.486 1.00 0.00 H new ATOM 0 HZ PHE A -7 -21.734 -2.859 10.811 1.00 0.00 H new ATOM 353 N GLN A -6 -18.831 4.861 9.209 1.00 0.00 N ATOM 354 CA GLN A -6 -18.397 6.063 8.436 1.00 0.00 C ATOM 355 C GLN A -6 -16.865 6.180 8.389 1.00 0.00 C ATOM 356 O GLN A -6 -16.247 6.725 9.285 1.00 0.00 O ATOM 357 CB GLN A -6 -19.027 7.274 9.142 1.00 0.00 C ATOM 358 CG GLN A -6 -18.676 7.278 10.636 1.00 0.00 C ATOM 359 CD GLN A -6 -18.246 8.681 11.058 1.00 0.00 C ATOM 360 OE1 GLN A -6 -19.018 9.412 11.651 1.00 0.00 O ATOM 361 NE2 GLN A -6 -17.046 9.089 10.776 1.00 0.00 N ATOM 0 H GLN A -6 -19.326 5.057 10.079 1.00 0.00 H new ATOM 0 HA GLN A -6 -18.722 5.998 7.398 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -18.674 8.195 8.678 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -20.110 7.250 9.018 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -19.537 6.959 11.223 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -17.874 6.566 10.833 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -16.402 8.474 10.279 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -16.748 10.025 11.051 1.00 0.00 H new ATOM 370 N GLY A -5 -16.260 5.693 7.334 1.00 0.00 N ATOM 371 CA GLY A -5 -14.783 5.793 7.181 1.00 0.00 C ATOM 372 C GLY A -5 -14.432 7.272 7.168 1.00 0.00 C ATOM 373 O GLY A -5 -14.540 7.944 6.160 1.00 0.00 O ATOM 0 H GLY A -5 -16.737 5.225 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -14.276 5.284 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -14.458 5.312 6.258 1.00 0.00 H new ATOM 377 N ALA A -4 -14.088 7.776 8.309 1.00 0.00 N ATOM 378 CA ALA A -4 -13.779 9.238 8.482 1.00 0.00 C ATOM 379 C ALA A -4 -12.635 9.770 7.582 1.00 0.00 C ATOM 380 O ALA A -4 -11.776 10.497 8.053 1.00 0.00 O ATOM 381 CB ALA A -4 -13.384 9.373 9.957 1.00 0.00 C ATOM 0 H ALA A -4 -14.002 7.228 9.165 1.00 0.00 H new ATOM 0 HA ALA A -4 -14.646 9.831 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -13.140 10.413 10.175 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -14.215 9.055 10.587 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -12.515 8.747 10.160 1.00 0.00 H new ATOM 387 N MET A -3 -12.639 9.489 6.301 1.00 0.00 N ATOM 388 CA MET A -3 -11.583 10.067 5.413 1.00 0.00 C ATOM 389 C MET A -3 -12.237 11.124 4.517 1.00 0.00 C ATOM 390 O MET A -3 -13.438 11.128 4.343 1.00 0.00 O ATOM 391 CB MET A -3 -11.010 8.933 4.555 1.00 0.00 C ATOM 392 CG MET A -3 -10.051 8.066 5.377 1.00 0.00 C ATOM 393 SD MET A -3 -10.840 6.496 5.799 1.00 0.00 S ATOM 394 CE MET A -3 -9.468 5.415 5.318 1.00 0.00 C ATOM 0 H MET A -3 -13.321 8.890 5.836 1.00 0.00 H new ATOM 0 HA MET A -3 -10.783 10.527 5.993 1.00 0.00 H new ATOM 0 HB2 MET A -3 -11.822 8.318 4.166 1.00 0.00 H new ATOM 0 HB3 MET A -3 -10.486 9.350 3.695 1.00 0.00 H new ATOM 0 HG2 MET A -3 -9.138 7.882 4.810 1.00 0.00 H new ATOM 0 HG3 MET A -3 -9.761 8.592 6.286 1.00 0.00 H new ATOM 0 HE1 MET A -3 -9.677 4.396 5.643 1.00 0.00 H new ATOM 0 HE2 MET A -3 -9.353 5.434 4.234 1.00 0.00 H new ATOM 0 HE3 MET A -3 -8.548 5.764 5.787 1.00 0.00 H new ATOM 404 N GLY A -2 -11.473 12.014 3.950 1.00 0.00 N ATOM 405 CA GLY A -2 -12.069 13.068 3.072 1.00 0.00 C ATOM 406 C GLY A -2 -12.462 12.475 1.716 1.00 0.00 C ATOM 407 O GLY A -2 -11.993 12.922 0.691 1.00 0.00 O ATOM 0 H GLY A -2 -10.459 12.060 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.946 13.499 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -11.354 13.878 2.928 1.00 0.00 H new ATOM 411 N SER A -1 -13.325 11.485 1.702 1.00 0.00 N ATOM 412 CA SER A -1 -13.771 10.856 0.411 1.00 0.00 C ATOM 413 C SER A -1 -12.618 10.763 -0.607 1.00 0.00 C ATOM 414 O SER A -1 -12.780 11.089 -1.768 1.00 0.00 O ATOM 415 CB SER A -1 -14.875 11.781 -0.107 1.00 0.00 C ATOM 416 OG SER A -1 -16.010 11.702 0.754 1.00 0.00 O ATOM 0 H SER A -1 -13.745 11.080 2.539 1.00 0.00 H new ATOM 0 HA SER A -1 -14.115 9.833 0.560 1.00 0.00 H new ATOM 0 HB2 SER A -1 -14.511 12.808 -0.152 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.155 11.497 -1.121 1.00 0.00 H new ATOM 0 HG SER A -1 -16.816 11.544 0.219 1.00 0.00 H new ATOM 422 N GLY A 1 -11.460 10.322 -0.185 1.00 0.00 N ATOM 423 CA GLY A 1 -10.303 10.213 -1.129 1.00 0.00 C ATOM 424 C GLY A 1 -10.435 8.938 -1.969 1.00 0.00 C ATOM 425 O GLY A 1 -11.240 8.075 -1.664 1.00 0.00 O ATOM 0 H GLY A 1 -11.264 10.032 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.270 11.086 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.367 10.196 -0.571 1.00 0.00 H new ATOM 429 N PRO A 2 -9.625 8.858 -2.997 1.00 0.00 N ATOM 430 CA PRO A 2 -9.639 7.677 -3.900 1.00 0.00 C ATOM 431 C PRO A 2 -9.160 6.422 -3.157 1.00 0.00 C ATOM 432 O PRO A 2 -9.757 5.370 -3.264 1.00 0.00 O ATOM 433 CB PRO A 2 -8.675 8.073 -5.024 1.00 0.00 C ATOM 434 CG PRO A 2 -7.781 9.102 -4.416 1.00 0.00 C ATOM 435 CD PRO A 2 -8.621 9.848 -3.413 1.00 0.00 C ATOM 0 HA PRO A 2 -10.633 7.431 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.105 7.214 -5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.213 8.474 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.922 8.635 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.391 9.778 -5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.025 10.193 -2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.086 10.729 -3.856 1.00 0.00 H new ATOM 443 N CYS A 3 -8.094 6.524 -2.402 1.00 0.00 N ATOM 444 CA CYS A 3 -7.587 5.330 -1.655 1.00 0.00 C ATOM 445 C CYS A 3 -8.701 4.740 -0.781 1.00 0.00 C ATOM 446 O CYS A 3 -8.928 3.543 -0.791 1.00 0.00 O ATOM 447 CB CYS A 3 -6.427 5.844 -0.806 1.00 0.00 C ATOM 448 SG CYS A 3 -5.563 4.454 -0.052 1.00 0.00 S ATOM 0 H CYS A 3 -7.554 7.379 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.262 4.532 -2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.739 6.420 -1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.800 6.516 -0.033 1.00 0.00 H new ATOM 453 N ARG A 4 -9.416 5.564 -0.048 1.00 0.00 N ATOM 454 CA ARG A 4 -10.527 5.031 0.794 1.00 0.00 C ATOM 455 C ARG A 4 -11.497 4.233 -0.089 1.00 0.00 C ATOM 456 O ARG A 4 -11.895 3.133 0.250 1.00 0.00 O ATOM 457 CB ARG A 4 -11.228 6.264 1.378 1.00 0.00 C ATOM 458 CG ARG A 4 -11.957 5.879 2.666 1.00 0.00 C ATOM 459 CD ARG A 4 -13.335 5.281 2.339 1.00 0.00 C ATOM 460 NE ARG A 4 -13.481 4.141 3.281 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.110 3.056 2.908 1.00 0.00 C ATOM 462 NH1 ARG A 4 -13.554 2.251 2.049 1.00 0.00 N ATOM 463 NH2 ARG A 4 -15.299 2.798 3.386 1.00 0.00 N ATOM 0 H ARG A 4 -9.277 6.573 0.001 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.170 4.366 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.498 7.047 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.936 6.669 0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.363 5.157 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.075 6.757 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.129 6.015 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.387 4.948 1.302 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.090 4.205 4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.632 2.467 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -14.040 1.404 1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.733 3.442 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.792 1.953 3.097 1.00 0.00 H new ATOM 477 N ARG A 5 -11.856 4.775 -1.227 1.00 0.00 N ATOM 478 CA ARG A 5 -12.781 4.049 -2.152 1.00 0.00 C ATOM 479 C ARG A 5 -12.063 2.824 -2.730 1.00 0.00 C ATOM 480 O ARG A 5 -12.634 1.752 -2.835 1.00 0.00 O ATOM 481 CB ARG A 5 -13.129 5.050 -3.258 1.00 0.00 C ATOM 482 CG ARG A 5 -13.778 6.294 -2.647 1.00 0.00 C ATOM 483 CD ARG A 5 -15.301 6.126 -2.608 1.00 0.00 C ATOM 484 NE ARG A 5 -15.753 6.266 -4.027 1.00 0.00 N ATOM 485 CZ ARG A 5 -16.457 5.319 -4.592 1.00 0.00 C ATOM 486 NH1 ARG A 5 -17.727 5.191 -4.304 1.00 0.00 N ATOM 487 NH2 ARG A 5 -15.888 4.505 -5.444 1.00 0.00 N ATOM 0 H ARG A 5 -11.548 5.690 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.680 3.694 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.228 5.330 -3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.808 4.590 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.396 6.456 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.516 7.175 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.579 5.153 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.763 6.881 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.511 7.104 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.166 5.829 -3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.278 4.453 -4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.898 4.610 -5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.434 3.766 -5.886 1.00 0.00 H new ATOM 501 N HIS A 6 -10.808 2.971 -3.088 1.00 0.00 N ATOM 502 CA HIS A 6 -10.039 1.815 -3.633 1.00 0.00 C ATOM 503 C HIS A 6 -10.045 0.683 -2.603 1.00 0.00 C ATOM 504 O HIS A 6 -10.265 -0.464 -2.940 1.00 0.00 O ATOM 505 CB HIS A 6 -8.613 2.331 -3.868 1.00 0.00 C ATOM 506 CG HIS A 6 -8.061 1.730 -5.131 1.00 0.00 C ATOM 507 ND1 HIS A 6 -7.423 0.500 -5.149 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.047 2.181 -6.427 1.00 0.00 C ATOM 509 CE1 HIS A 6 -7.053 0.253 -6.420 1.00 0.00 C ATOM 510 NE2 HIS A 6 -7.407 1.248 -7.240 1.00 0.00 N ATOM 0 H HIS A 6 -10.286 3.845 -3.024 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.467 1.427 -4.557 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.617 3.418 -3.942 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.977 2.071 -3.022 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.468 3.116 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.534 -0.639 -6.738 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.244 1.311 -8.245 1.00 0.00 H new ATOM 518 N LEU A 7 -9.840 0.997 -1.345 1.00 0.00 N ATOM 519 CA LEU A 7 -9.871 -0.072 -0.300 1.00 0.00 C ATOM 520 C LEU A 7 -11.263 -0.716 -0.285 1.00 0.00 C ATOM 521 O LEU A 7 -11.398 -1.916 -0.141 1.00 0.00 O ATOM 522 CB LEU A 7 -9.589 0.636 1.030 1.00 0.00 C ATOM 523 CG LEU A 7 -8.254 0.144 1.598 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.926 0.909 2.881 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.343 -1.349 1.915 1.00 0.00 C ATOM 0 H LEU A 7 -9.654 1.939 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.140 -0.859 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.557 1.715 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.393 0.436 1.738 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.471 0.314 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.976 0.556 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.854 1.974 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.714 0.742 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.391 -1.693 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.131 -1.519 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.571 -1.901 1.004 1.00 0.00 H new ATOM 537 N ASP A 8 -12.295 0.075 -0.458 1.00 0.00 N ATOM 538 CA ASP A 8 -13.685 -0.484 -0.488 1.00 0.00 C ATOM 539 C ASP A 8 -13.793 -1.494 -1.635 1.00 0.00 C ATOM 540 O ASP A 8 -14.282 -2.598 -1.468 1.00 0.00 O ATOM 541 CB ASP A 8 -14.589 0.729 -0.762 1.00 0.00 C ATOM 542 CG ASP A 8 -15.843 0.660 0.102 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.712 0.674 1.311 1.00 0.00 O ATOM 544 OD2 ASP A 8 -16.919 0.614 -0.461 1.00 0.00 O ATOM 0 H ASP A 8 -12.235 1.086 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.959 -0.996 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.046 1.651 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.866 0.754 -1.816 1.00 0.00 H new ATOM 549 N SER A 9 -13.314 -1.113 -2.791 1.00 0.00 N ATOM 550 CA SER A 9 -13.336 -2.018 -3.978 1.00 0.00 C ATOM 551 C SER A 9 -12.368 -3.178 -3.752 1.00 0.00 C ATOM 552 O SER A 9 -12.701 -4.325 -3.980 1.00 0.00 O ATOM 553 CB SER A 9 -12.878 -1.154 -5.157 1.00 0.00 C ATOM 554 OG SER A 9 -13.581 0.087 -5.143 1.00 0.00 O ATOM 0 H SER A 9 -12.901 -0.197 -2.965 1.00 0.00 H new ATOM 0 HA SER A 9 -14.322 -2.446 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.804 -0.976 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.061 -1.676 -6.096 1.00 0.00 H new ATOM 0 HG SER A 9 -13.285 0.639 -5.897 1.00 0.00 H new ATOM 560 N VAL A 10 -11.171 -2.887 -3.297 1.00 0.00 N ATOM 561 CA VAL A 10 -10.181 -3.975 -3.041 1.00 0.00 C ATOM 562 C VAL A 10 -10.757 -4.934 -2.002 1.00 0.00 C ATOM 563 O VAL A 10 -10.715 -6.132 -2.170 1.00 0.00 O ATOM 564 CB VAL A 10 -8.922 -3.272 -2.508 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.902 -4.312 -2.028 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.292 -2.432 -3.622 1.00 0.00 C ATOM 0 H VAL A 10 -10.840 -1.944 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.950 -4.557 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.204 -2.629 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.014 -3.804 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.341 -4.912 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.625 -4.960 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.400 -1.934 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.020 -3.079 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.008 -1.684 -3.962 1.00 0.00 H new ATOM 576 N LEU A 11 -11.321 -4.410 -0.943 1.00 0.00 N ATOM 577 CA LEU A 11 -11.926 -5.298 0.092 1.00 0.00 C ATOM 578 C LEU A 11 -12.991 -6.180 -0.567 1.00 0.00 C ATOM 579 O LEU A 11 -13.073 -7.367 -0.304 1.00 0.00 O ATOM 580 CB LEU A 11 -12.569 -4.348 1.112 1.00 0.00 C ATOM 581 CG LEU A 11 -13.393 -5.147 2.127 1.00 0.00 C ATOM 582 CD1 LEU A 11 -12.465 -6.037 2.955 1.00 0.00 C ATOM 583 CD2 LEU A 11 -14.147 -4.186 3.053 1.00 0.00 C ATOM 0 H LEU A 11 -11.388 -3.410 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.196 -5.955 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.796 -3.778 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.207 -3.629 0.599 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.112 -5.771 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.053 -6.604 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.937 -6.726 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.742 -5.416 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.732 -4.758 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.433 -3.557 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.814 -3.559 2.461 1.00 0.00 H new ATOM 595 N GLN A 12 -13.809 -5.613 -1.422 1.00 0.00 N ATOM 596 CA GLN A 12 -14.862 -6.440 -2.094 1.00 0.00 C ATOM 597 C GLN A 12 -14.225 -7.405 -3.108 1.00 0.00 C ATOM 598 O GLN A 12 -14.570 -8.573 -3.175 1.00 0.00 O ATOM 599 CB GLN A 12 -15.776 -5.441 -2.814 1.00 0.00 C ATOM 600 CG GLN A 12 -16.736 -4.799 -1.808 1.00 0.00 C ATOM 601 CD GLN A 12 -18.136 -5.395 -1.984 1.00 0.00 C ATOM 602 OE1 GLN A 12 -18.678 -5.988 -1.070 1.00 0.00 O ATOM 603 NE2 GLN A 12 -18.750 -5.270 -3.128 1.00 0.00 N ATOM 0 H GLN A 12 -13.795 -4.627 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.412 -7.048 -1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.177 -4.672 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.340 -5.949 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.382 -4.970 -0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.767 -3.720 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.300 -4.774 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.681 -5.668 -3.254 1.00 0.00 H new ATOM 612 N GLN A 13 -13.310 -6.917 -3.906 1.00 0.00 N ATOM 613 CA GLN A 13 -12.656 -7.782 -4.937 1.00 0.00 C ATOM 614 C GLN A 13 -11.679 -8.791 -4.318 1.00 0.00 C ATOM 615 O GLN A 13 -11.690 -9.942 -4.681 1.00 0.00 O ATOM 616 CB GLN A 13 -11.904 -6.822 -5.856 1.00 0.00 C ATOM 617 CG GLN A 13 -12.830 -6.364 -6.984 1.00 0.00 C ATOM 618 CD GLN A 13 -11.997 -5.766 -8.116 1.00 0.00 C ATOM 619 OE1 GLN A 13 -11.855 -4.563 -8.206 1.00 0.00 O ATOM 620 NE2 GLN A 13 -11.431 -6.552 -8.990 1.00 0.00 N ATOM 0 H GLN A 13 -12.985 -5.950 -3.888 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.402 -8.375 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.551 -5.961 -5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.024 -7.313 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.414 -7.207 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.538 -5.625 -6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.548 -7.563 -8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.872 -6.156 -9.745 1.00 0.00 H new ATOM 629 N LEU A 14 -10.809 -8.376 -3.429 1.00 0.00 N ATOM 630 CA LEU A 14 -9.804 -9.337 -2.855 1.00 0.00 C ATOM 631 C LEU A 14 -10.461 -10.613 -2.315 1.00 0.00 C ATOM 632 O LEU A 14 -9.902 -11.690 -2.428 1.00 0.00 O ATOM 633 CB LEU A 14 -9.117 -8.590 -1.709 1.00 0.00 C ATOM 634 CG LEU A 14 -7.610 -8.793 -1.810 1.00 0.00 C ATOM 635 CD1 LEU A 14 -6.898 -7.760 -0.938 1.00 0.00 C ATOM 636 CD2 LEU A 14 -7.256 -10.205 -1.329 1.00 0.00 C ATOM 0 H LEU A 14 -10.748 -7.421 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.106 -9.654 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.357 -7.528 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.482 -8.957 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.292 -8.671 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.820 -7.904 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.153 -6.757 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.212 -7.881 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.179 -10.354 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.572 -10.326 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.766 -10.940 -1.952 1.00 0.00 H new ATOM 648 N GLN A 15 -11.617 -10.517 -1.723 1.00 0.00 N ATOM 649 CA GLN A 15 -12.260 -11.753 -1.179 1.00 0.00 C ATOM 650 C GLN A 15 -12.818 -12.624 -2.303 1.00 0.00 C ATOM 651 O GLN A 15 -12.986 -13.819 -2.144 1.00 0.00 O ATOM 652 CB GLN A 15 -13.390 -11.270 -0.264 1.00 0.00 C ATOM 653 CG GLN A 15 -12.816 -10.831 1.085 1.00 0.00 C ATOM 654 CD GLN A 15 -13.916 -10.161 1.910 1.00 0.00 C ATOM 655 OE1 GLN A 15 -14.512 -10.779 2.772 1.00 0.00 O ATOM 656 NE2 GLN A 15 -14.223 -8.919 1.669 1.00 0.00 N ATOM 0 H GLN A 15 -12.141 -9.652 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.538 -12.366 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.919 -10.439 -0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.117 -12.068 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.417 -11.692 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.988 -10.139 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.723 -8.401 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.963 -8.464 2.203 1.00 0.00 H new ATOM 665 N THR A 16 -13.103 -12.045 -3.429 1.00 0.00 N ATOM 666 CA THR A 16 -13.650 -12.819 -4.562 1.00 0.00 C ATOM 667 C THR A 16 -12.545 -13.061 -5.601 1.00 0.00 C ATOM 668 O THR A 16 -12.495 -14.088 -6.248 1.00 0.00 O ATOM 669 CB THR A 16 -14.727 -11.896 -5.121 1.00 0.00 C ATOM 670 OG1 THR A 16 -15.800 -11.796 -4.187 1.00 0.00 O ATOM 671 CG2 THR A 16 -15.224 -12.444 -6.449 1.00 0.00 C ATOM 0 H THR A 16 -12.977 -11.050 -3.613 1.00 0.00 H new ATOM 0 HA THR A 16 -14.037 -13.799 -4.283 1.00 0.00 H new ATOM 0 HB THR A 16 -14.313 -10.901 -5.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.491 -11.201 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.994 -11.785 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.394 -12.501 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.641 -13.440 -6.298 1.00 0.00 H new ATOM 679 N GLU A 17 -11.661 -12.117 -5.752 1.00 0.00 N ATOM 680 CA GLU A 17 -10.547 -12.267 -6.735 1.00 0.00 C ATOM 681 C GLU A 17 -9.315 -12.820 -6.015 1.00 0.00 C ATOM 682 O GLU A 17 -8.216 -12.314 -6.165 1.00 0.00 O ATOM 683 CB GLU A 17 -10.287 -10.853 -7.283 1.00 0.00 C ATOM 684 CG GLU A 17 -11.608 -10.230 -7.759 1.00 0.00 C ATOM 685 CD GLU A 17 -11.722 -10.347 -9.277 1.00 0.00 C ATOM 686 OE1 GLU A 17 -11.863 -11.454 -9.757 1.00 0.00 O ATOM 687 OE2 GLU A 17 -11.672 -9.325 -9.935 1.00 0.00 O ATOM 0 H GLU A 17 -11.660 -11.239 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.786 -12.957 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.838 -10.230 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.577 -10.898 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.450 -10.733 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.654 -9.182 -7.462 1.00 0.00 H new ATOM 694 N VAL A 18 -9.491 -13.838 -5.208 1.00 0.00 N ATOM 695 CA VAL A 18 -8.323 -14.398 -4.452 1.00 0.00 C ATOM 696 C VAL A 18 -7.164 -14.721 -5.386 1.00 0.00 C ATOM 697 O VAL A 18 -6.017 -14.582 -5.026 1.00 0.00 O ATOM 698 CB VAL A 18 -8.807 -15.676 -3.750 1.00 0.00 C ATOM 699 CG1 VAL A 18 -8.997 -16.794 -4.780 1.00 0.00 C ATOM 700 CG2 VAL A 18 -7.743 -16.114 -2.737 1.00 0.00 C ATOM 0 H VAL A 18 -10.383 -14.303 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.960 -13.666 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.755 -15.479 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.340 -17.698 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.737 -16.486 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.049 -16.994 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.074 -17.021 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.805 -16.310 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.593 -15.323 -2.002 1.00 0.00 H new ATOM 710 N TYR A 19 -7.448 -15.162 -6.568 1.00 0.00 N ATOM 711 CA TYR A 19 -6.344 -15.507 -7.512 1.00 0.00 C ATOM 712 C TYR A 19 -5.394 -14.325 -7.670 1.00 0.00 C ATOM 713 O TYR A 19 -4.196 -14.479 -7.822 1.00 0.00 O ATOM 714 CB TYR A 19 -7.022 -15.960 -8.820 1.00 0.00 C ATOM 715 CG TYR A 19 -7.580 -14.801 -9.626 1.00 0.00 C ATOM 716 CD1 TYR A 19 -8.580 -13.967 -9.099 1.00 0.00 C ATOM 717 CD2 TYR A 19 -7.114 -14.589 -10.926 1.00 0.00 C ATOM 718 CE1 TYR A 19 -9.103 -12.929 -9.876 1.00 0.00 C ATOM 719 CE2 TYR A 19 -7.634 -13.547 -11.699 1.00 0.00 C ATOM 720 CZ TYR A 19 -8.631 -12.717 -11.174 1.00 0.00 C ATOM 721 OH TYR A 19 -9.146 -11.690 -11.937 1.00 0.00 O ATOM 0 H TYR A 19 -8.392 -15.301 -6.929 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.712 -16.317 -7.148 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.300 -16.505 -9.428 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.829 -16.654 -8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.944 -14.127 -8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.349 -15.233 -11.335 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.874 -12.289 -9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.266 -13.382 -12.701 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.707 -11.682 -12.813 1.00 0.00 H new ATOM 731 N ARG A 20 -5.924 -13.163 -7.557 1.00 0.00 N ATOM 732 CA ARG A 20 -5.088 -11.929 -7.611 1.00 0.00 C ATOM 733 C ARG A 20 -4.589 -11.598 -6.209 1.00 0.00 C ATOM 734 O ARG A 20 -3.420 -11.351 -5.993 1.00 0.00 O ATOM 735 CB ARG A 20 -6.008 -10.814 -8.118 1.00 0.00 C ATOM 736 CG ARG A 20 -6.586 -11.190 -9.478 1.00 0.00 C ATOM 737 CD ARG A 20 -5.453 -11.449 -10.470 1.00 0.00 C ATOM 738 NE ARG A 20 -5.953 -10.924 -11.771 1.00 0.00 N ATOM 739 CZ ARG A 20 -5.110 -10.527 -12.690 1.00 0.00 C ATOM 740 NH1 ARG A 20 -4.548 -11.409 -13.479 1.00 0.00 N ATOM 741 NH2 ARG A 20 -4.802 -9.262 -12.788 1.00 0.00 N ATOM 0 H ARG A 20 -6.922 -12.997 -7.426 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.221 -12.051 -8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.815 -10.645 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.452 -9.880 -8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.210 -12.079 -9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.227 -10.388 -9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.538 -10.942 -10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.221 -12.512 -10.536 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.957 -10.874 -11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.768 -12.400 -13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.890 -11.105 -14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.218 -8.585 -12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.145 -8.951 -13.504 1.00 0.00 H new ATOM 755 N GLY A 21 -5.485 -11.591 -5.256 1.00 0.00 N ATOM 756 CA GLY A 21 -5.114 -11.266 -3.838 1.00 0.00 C ATOM 757 C GLY A 21 -4.106 -12.278 -3.315 1.00 0.00 C ATOM 758 O GLY A 21 -3.169 -11.938 -2.621 1.00 0.00 O ATOM 0 H GLY A 21 -6.473 -11.799 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.693 -10.262 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.005 -11.272 -3.211 1.00 0.00 H new ATOM 762 N ALA A 22 -4.290 -13.518 -3.643 1.00 0.00 N ATOM 763 CA ALA A 22 -3.347 -14.554 -3.165 1.00 0.00 C ATOM 764 C ALA A 22 -1.986 -14.386 -3.845 1.00 0.00 C ATOM 765 O ALA A 22 -0.994 -14.898 -3.368 1.00 0.00 O ATOM 766 CB ALA A 22 -3.973 -15.894 -3.561 1.00 0.00 C ATOM 0 H ALA A 22 -5.055 -13.860 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.183 -14.485 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.325 -16.708 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.948 -15.995 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.092 -15.934 -4.644 1.00 0.00 H new ATOM 772 N GLN A 23 -1.922 -13.693 -4.958 1.00 0.00 N ATOM 773 CA GLN A 23 -0.613 -13.547 -5.648 1.00 0.00 C ATOM 774 C GLN A 23 -0.045 -12.129 -5.565 1.00 0.00 C ATOM 775 O GLN A 23 1.084 -11.932 -5.166 1.00 0.00 O ATOM 776 CB GLN A 23 -0.866 -13.941 -7.109 1.00 0.00 C ATOM 777 CG GLN A 23 0.205 -14.938 -7.569 1.00 0.00 C ATOM 778 CD GLN A 23 1.314 -14.193 -8.310 1.00 0.00 C ATOM 779 OE1 GLN A 23 1.475 -14.348 -9.503 1.00 0.00 O ATOM 780 NE2 GLN A 23 2.093 -13.381 -7.653 1.00 0.00 N ATOM 0 H GLN A 23 -2.711 -13.230 -5.409 1.00 0.00 H new ATOM 0 HA GLN A 23 0.133 -14.180 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.857 -14.385 -7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.848 -13.055 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.619 -15.465 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.240 -15.690 -8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.961 -13.248 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.834 -12.879 -8.141 1.00 0.00 H new ATOM 789 N THR A 24 -0.777 -11.161 -5.998 1.00 0.00 N ATOM 790 CA THR A 24 -0.232 -9.765 -5.994 1.00 0.00 C ATOM 791 C THR A 24 -1.330 -8.707 -6.177 1.00 0.00 C ATOM 792 O THR A 24 -1.135 -7.712 -6.851 1.00 0.00 O ATOM 793 CB THR A 24 0.797 -9.754 -7.128 1.00 0.00 C ATOM 794 OG1 THR A 24 1.364 -8.458 -7.290 1.00 0.00 O ATOM 795 CG2 THR A 24 0.145 -10.205 -8.436 1.00 0.00 C ATOM 0 H THR A 24 -1.727 -11.260 -6.356 1.00 0.00 H new ATOM 0 HA THR A 24 0.219 -9.504 -5.037 1.00 0.00 H new ATOM 0 HB THR A 24 1.596 -10.448 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.230 -8.420 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.886 -10.193 -9.235 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.246 -11.216 -8.318 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.671 -9.528 -8.688 1.00 0.00 H new ATOM 803 N LEU A 25 -2.477 -8.889 -5.592 1.00 0.00 N ATOM 804 CA LEU A 25 -3.535 -7.858 -5.770 1.00 0.00 C ATOM 805 C LEU A 25 -3.133 -6.660 -4.923 1.00 0.00 C ATOM 806 O LEU A 25 -2.633 -6.792 -3.820 1.00 0.00 O ATOM 807 CB LEU A 25 -4.848 -8.467 -5.266 1.00 0.00 C ATOM 808 CG LEU A 25 -6.013 -8.005 -6.160 1.00 0.00 C ATOM 809 CD1 LEU A 25 -7.246 -8.871 -5.897 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.353 -6.546 -5.846 1.00 0.00 C ATOM 0 H LEU A 25 -2.727 -9.689 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.657 -7.546 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.781 -9.555 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.027 -8.165 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.717 -8.100 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.066 -8.539 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.013 -9.912 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.538 -8.780 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.178 -6.220 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.643 -6.457 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.481 -5.920 -6.036 1.00 0.00 H new ATOM 822 N TYR A 26 -3.269 -5.505 -5.481 1.00 0.00 N ATOM 823 CA TYR A 26 -2.818 -4.271 -4.779 1.00 0.00 C ATOM 824 C TYR A 26 -3.755 -3.859 -3.638 1.00 0.00 C ATOM 825 O TYR A 26 -4.961 -3.809 -3.788 1.00 0.00 O ATOM 826 CB TYR A 26 -2.779 -3.183 -5.862 1.00 0.00 C ATOM 827 CG TYR A 26 -2.827 -1.827 -5.206 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.686 -1.302 -4.589 1.00 0.00 C ATOM 829 CD2 TYR A 26 -4.024 -1.105 -5.196 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.746 -0.055 -3.965 1.00 0.00 C ATOM 831 CE2 TYR A 26 -4.081 0.142 -4.573 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.942 0.665 -3.958 1.00 0.00 C ATOM 833 OH TYR A 26 -2.997 1.895 -3.348 1.00 0.00 O ATOM 0 H TYR A 26 -3.677 -5.352 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.849 -4.433 -4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.872 -3.279 -6.458 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.622 -3.301 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.761 -1.860 -4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.904 -1.512 -5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.867 0.353 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.005 0.702 -4.566 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.603 2.571 -3.938 1.00 0.00 H new ATOM 843 N VAL A 27 -3.176 -3.507 -2.517 1.00 0.00 N ATOM 844 CA VAL A 27 -3.970 -3.029 -1.352 1.00 0.00 C ATOM 845 C VAL A 27 -3.495 -1.605 -1.024 1.00 0.00 C ATOM 846 O VAL A 27 -2.315 -1.382 -0.789 1.00 0.00 O ATOM 847 CB VAL A 27 -3.674 -4.017 -0.212 1.00 0.00 C ATOM 848 CG1 VAL A 27 -3.830 -3.321 1.149 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.668 -5.179 -0.300 1.00 0.00 C ATOM 0 H VAL A 27 -2.168 -3.533 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.045 -2.991 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.651 -4.382 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.618 -4.032 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.133 -2.485 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.850 -2.952 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.470 -5.889 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.684 -4.797 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.558 -5.680 -1.262 1.00 0.00 H new ATOM 859 N PRO A 28 -4.420 -0.680 -1.068 1.00 0.00 N ATOM 860 CA PRO A 28 -4.093 0.742 -0.820 1.00 0.00 C ATOM 861 C PRO A 28 -4.058 1.090 0.676 1.00 0.00 C ATOM 862 O PRO A 28 -4.834 0.589 1.464 1.00 0.00 O ATOM 863 CB PRO A 28 -5.234 1.482 -1.517 1.00 0.00 C ATOM 864 CG PRO A 28 -6.388 0.524 -1.557 1.00 0.00 C ATOM 865 CD PRO A 28 -5.847 -0.869 -1.355 1.00 0.00 C ATOM 0 HA PRO A 28 -3.101 1.005 -1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.499 2.389 -0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.945 1.786 -2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.112 0.768 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.909 0.595 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.352 -1.374 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.994 -1.483 -2.244 1.00 0.00 H new ATOM 873 N ASN A 29 -3.178 1.987 1.045 1.00 0.00 N ATOM 874 CA ASN A 29 -3.086 2.448 2.467 1.00 0.00 C ATOM 875 C ASN A 29 -3.574 3.893 2.490 1.00 0.00 C ATOM 876 O ASN A 29 -3.043 4.725 1.777 1.00 0.00 O ATOM 877 CB ASN A 29 -1.601 2.379 2.817 1.00 0.00 C ATOM 878 CG ASN A 29 -1.422 2.252 4.329 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.055 1.202 4.814 1.00 0.00 O ATOM 880 ND2 ASN A 29 -1.662 3.275 5.103 1.00 0.00 N ATOM 0 H ASN A 29 -2.509 2.426 0.413 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.674 1.857 3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.141 1.527 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.093 3.274 2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.541 3.190 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.971 4.159 4.699 1.00 0.00 H new ATOM 887 N CYS A 30 -4.596 4.210 3.234 1.00 0.00 N ATOM 888 CA CYS A 30 -5.105 5.615 3.176 1.00 0.00 C ATOM 889 C CYS A 30 -5.165 6.304 4.539 1.00 0.00 C ATOM 890 O CYS A 30 -5.479 5.711 5.552 1.00 0.00 O ATOM 891 CB CYS A 30 -6.528 5.491 2.623 1.00 0.00 C ATOM 892 SG CYS A 30 -6.682 4.023 1.568 1.00 0.00 S ATOM 0 H CYS A 30 -5.092 3.580 3.864 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.435 6.223 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.239 5.429 3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.780 6.384 2.051 1.00 0.00 H new ATOM 897 N ASP A 31 -4.905 7.585 4.530 1.00 0.00 N ATOM 898 CA ASP A 31 -4.970 8.413 5.765 1.00 0.00 C ATOM 899 C ASP A 31 -6.327 9.128 5.819 1.00 0.00 C ATOM 900 O ASP A 31 -7.126 9.021 4.904 1.00 0.00 O ATOM 901 CB ASP A 31 -3.835 9.424 5.602 1.00 0.00 C ATOM 902 CG ASP A 31 -3.788 10.371 6.797 1.00 0.00 C ATOM 903 OD1 ASP A 31 -3.533 9.905 7.890 1.00 0.00 O ATOM 904 OD2 ASP A 31 -4.012 11.550 6.601 1.00 0.00 O ATOM 0 H ASP A 31 -4.643 8.104 3.692 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.870 7.832 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.884 8.900 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.977 9.994 4.684 1.00 0.00 H new ATOM 909 N HIS A 32 -6.595 9.855 6.875 1.00 0.00 N ATOM 910 CA HIS A 32 -7.897 10.597 7.007 1.00 0.00 C ATOM 911 C HIS A 32 -8.243 11.397 5.731 1.00 0.00 C ATOM 912 O HIS A 32 -9.377 11.776 5.526 1.00 0.00 O ATOM 913 CB HIS A 32 -7.705 11.544 8.194 1.00 0.00 C ATOM 914 CG HIS A 32 -8.283 10.915 9.434 1.00 0.00 C ATOM 915 ND1 HIS A 32 -9.618 10.541 9.524 1.00 0.00 N ATOM 916 CD2 HIS A 32 -7.723 10.592 10.645 1.00 0.00 C ATOM 917 CE1 HIS A 32 -9.811 10.022 10.750 1.00 0.00 C ATOM 918 NE2 HIS A 32 -8.688 10.029 11.475 1.00 0.00 N ATOM 0 H HIS A 32 -5.960 9.970 7.665 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.724 9.903 7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.645 11.753 8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.194 12.498 7.995 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -10.323 10.642 8.794 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.689 10.751 10.913 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.759 9.645 11.106 1.00 0.00 H new ATOM 926 N ARG A 33 -7.294 11.655 4.873 1.00 0.00 N ATOM 927 CA ARG A 33 -7.595 12.412 3.610 1.00 0.00 C ATOM 928 C ARG A 33 -8.135 11.433 2.551 1.00 0.00 C ATOM 929 O ARG A 33 -8.409 11.807 1.430 1.00 0.00 O ATOM 930 CB ARG A 33 -6.274 13.044 3.116 1.00 0.00 C ATOM 931 CG ARG A 33 -5.309 13.317 4.277 1.00 0.00 C ATOM 932 CD ARG A 33 -5.936 14.305 5.273 1.00 0.00 C ATOM 933 NE ARG A 33 -5.794 15.652 4.641 1.00 0.00 N ATOM 934 CZ ARG A 33 -5.638 16.705 5.398 1.00 0.00 C ATOM 935 NH1 ARG A 33 -6.616 17.100 6.172 1.00 0.00 N ATOM 936 NH2 ARG A 33 -4.509 17.358 5.371 1.00 0.00 N ATOM 0 H ARG A 33 -6.319 11.376 4.987 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.342 13.186 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.798 12.378 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.489 13.976 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.067 12.383 4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.373 13.723 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.984 14.066 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.427 14.268 6.236 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.819 15.748 3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.497 16.586 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.497 17.922 6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.754 17.046 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.382 18.181 5.960 1.00 0.00 H new ATOM 950 N GLY A 34 -8.282 10.175 2.903 1.00 0.00 N ATOM 951 CA GLY A 34 -8.799 9.159 1.934 1.00 0.00 C ATOM 952 C GLY A 34 -7.816 8.916 0.776 1.00 0.00 C ATOM 953 O GLY A 34 -8.083 8.107 -0.092 1.00 0.00 O ATOM 0 H GLY A 34 -8.063 9.808 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.983 8.220 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.756 9.494 1.533 1.00 0.00 H new ATOM 957 N PHE A 35 -6.688 9.581 0.746 1.00 0.00 N ATOM 958 CA PHE A 35 -5.712 9.336 -0.363 1.00 0.00 C ATOM 959 C PHE A 35 -4.775 8.191 0.029 1.00 0.00 C ATOM 960 O PHE A 35 -4.996 7.527 1.024 1.00 0.00 O ATOM 961 CB PHE A 35 -4.941 10.650 -0.521 1.00 0.00 C ATOM 962 CG PHE A 35 -5.430 11.365 -1.760 1.00 0.00 C ATOM 963 CD1 PHE A 35 -4.856 11.081 -3.005 1.00 0.00 C ATOM 964 CD2 PHE A 35 -6.458 12.310 -1.661 1.00 0.00 C ATOM 965 CE1 PHE A 35 -5.315 11.740 -4.153 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.916 12.968 -2.807 1.00 0.00 C ATOM 967 CZ PHE A 35 -6.343 12.686 -4.052 1.00 0.00 C ATOM 0 H PHE A 35 -6.401 10.277 1.434 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.197 9.050 -1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.086 11.279 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.872 10.452 -0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.060 10.355 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.897 12.531 -0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.877 11.519 -5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.712 13.694 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.694 13.198 -4.936 1.00 0.00 H new ATOM 977 N TYR A 36 -3.729 7.967 -0.719 1.00 0.00 N ATOM 978 CA TYR A 36 -2.770 6.871 -0.364 1.00 0.00 C ATOM 979 C TYR A 36 -1.640 7.531 0.402 1.00 0.00 C ATOM 980 O TYR A 36 -0.744 8.086 -0.195 1.00 0.00 O ATOM 981 CB TYR A 36 -2.259 6.304 -1.701 1.00 0.00 C ATOM 982 CG TYR A 36 -3.421 5.947 -2.606 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.976 6.919 -3.451 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.947 4.650 -2.597 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.051 6.590 -4.284 1.00 0.00 C ATOM 986 CE2 TYR A 36 -5.020 4.323 -3.429 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.574 5.290 -4.269 1.00 0.00 C ATOM 988 OH TYR A 36 -6.641 4.964 -5.078 1.00 0.00 O ATOM 0 H TYR A 36 -3.493 8.493 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.207 6.073 0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.620 7.037 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.648 5.420 -1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.574 7.921 -3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.522 3.901 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.477 7.337 -4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.422 3.320 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.380 4.245 -5.690 1.00 0.00 H new ATOM 998 N ARG A 37 -1.718 7.584 1.707 1.00 0.00 N ATOM 999 CA ARG A 37 -0.665 8.344 2.429 1.00 0.00 C ATOM 1000 C ARG A 37 0.682 7.638 2.554 1.00 0.00 C ATOM 1001 O ARG A 37 1.685 8.144 2.095 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.255 8.595 3.825 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.210 9.272 4.712 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.900 9.931 5.908 1.00 0.00 C ATOM 1005 NE ARG A 37 0.185 10.586 6.688 1.00 0.00 N ATOM 1006 CZ ARG A 37 0.046 10.729 7.982 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -0.616 11.754 8.452 1.00 0.00 N ATOM 1008 NH2 ARG A 37 0.563 9.849 8.800 1.00 0.00 N ATOM 0 H ARG A 37 -2.439 7.150 2.283 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.431 9.248 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.142 9.223 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.570 7.652 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.518 8.538 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.339 10.019 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.641 10.660 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.426 9.192 6.513 1.00 0.00 H new ATOM 0 HE ARG A 37 1.027 10.920 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.021 12.437 7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.728 11.871 9.459 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.076 9.049 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.453 9.963 9.808 1.00 0.00 H new ATOM 1022 N LYS A 38 0.737 6.528 3.212 1.00 0.00 N ATOM 1023 CA LYS A 38 2.057 5.861 3.396 1.00 0.00 C ATOM 1024 C LYS A 38 2.377 4.721 2.418 1.00 0.00 C ATOM 1025 O LYS A 38 3.476 4.631 1.899 1.00 0.00 O ATOM 1026 CB LYS A 38 1.977 5.293 4.808 1.00 0.00 C ATOM 1027 CG LYS A 38 3.269 4.551 5.128 1.00 0.00 C ATOM 1028 CD LYS A 38 3.063 3.646 6.346 1.00 0.00 C ATOM 1029 CE LYS A 38 3.740 4.261 7.580 1.00 0.00 C ATOM 1030 NZ LYS A 38 3.005 5.531 7.848 1.00 0.00 N ATOM 0 H LYS A 38 -0.061 6.050 3.630 1.00 0.00 H new ATOM 0 HA LYS A 38 2.850 6.586 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.818 6.097 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.126 4.617 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.578 3.955 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.069 5.265 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.998 3.513 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.478 2.657 6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.683 3.587 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.797 4.451 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.042 5.745 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.446 6.307 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.013 5.427 7.552 1.00 0.00 H new ATOM 1044 N ARG A 39 1.472 3.788 2.264 1.00 0.00 N ATOM 1045 CA ARG A 39 1.788 2.586 1.434 1.00 0.00 C ATOM 1046 C ARG A 39 0.893 2.363 0.206 1.00 0.00 C ATOM 1047 O ARG A 39 -0.300 2.605 0.210 1.00 0.00 O ATOM 1048 CB ARG A 39 1.632 1.420 2.427 1.00 0.00 C ATOM 1049 CG ARG A 39 1.894 0.068 1.742 1.00 0.00 C ATOM 1050 CD ARG A 39 1.385 -1.059 2.653 1.00 0.00 C ATOM 1051 NE ARG A 39 -0.068 -1.207 2.335 1.00 0.00 N ATOM 1052 CZ ARG A 39 -0.862 -1.823 3.179 1.00 0.00 C ATOM 1053 NH1 ARG A 39 -0.587 -3.043 3.560 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -1.908 -1.209 3.669 1.00 0.00 N ATOM 0 H ARG A 39 0.537 3.805 2.672 1.00 0.00 H new ATOM 0 HA ARG A 39 2.778 2.695 0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.326 1.551 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.626 1.429 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.388 0.030 0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.959 -0.056 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.924 -1.988 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.533 -0.811 3.704 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.442 -0.830 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.243 -3.514 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.203 -3.523 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.109 -0.247 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.522 -1.692 4.325 1.00 0.00 H new ATOM 1068 N GLN A 40 1.485 1.747 -0.777 1.00 0.00 N ATOM 1069 CA GLN A 40 0.768 1.284 -1.997 1.00 0.00 C ATOM 1070 C GLN A 40 1.362 -0.107 -2.207 1.00 0.00 C ATOM 1071 O GLN A 40 2.573 -0.238 -2.269 1.00 0.00 O ATOM 1072 CB GLN A 40 1.168 2.225 -3.138 1.00 0.00 C ATOM 1073 CG GLN A 40 0.215 3.423 -3.207 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.406 3.499 -4.606 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.324 2.770 -4.911 1.00 0.00 O ATOM 1076 NE2 GLN A 40 0.048 4.349 -5.477 1.00 0.00 N ATOM 0 H GLN A 40 2.483 1.536 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.320 1.270 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.190 2.574 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.152 1.685 -4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.567 3.323 -2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.754 4.344 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.821 4.968 -5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.368 4.398 -6.407 1.00 0.00 H new ATOM 1085 N CYS A 41 0.594 -1.162 -2.215 1.00 0.00 N ATOM 1086 CA CYS A 41 1.276 -2.487 -2.313 1.00 0.00 C ATOM 1087 C CYS A 41 0.573 -3.530 -3.160 1.00 0.00 C ATOM 1088 O CYS A 41 -0.612 -3.748 -3.041 1.00 0.00 O ATOM 1089 CB CYS A 41 1.287 -2.991 -0.874 1.00 0.00 C ATOM 1090 SG CYS A 41 2.652 -2.241 0.030 1.00 0.00 S ATOM 0 H CYS A 41 -0.425 -1.172 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 41 2.245 -2.348 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.342 -2.749 -0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.384 -4.077 -0.861 1.00 0.00 H new ATOM 1095 N ARG A 42 1.351 -4.279 -3.894 1.00 0.00 N ATOM 1096 CA ARG A 42 0.806 -5.444 -4.636 1.00 0.00 C ATOM 1097 C ARG A 42 1.055 -6.597 -3.667 1.00 0.00 C ATOM 1098 O ARG A 42 2.164 -6.751 -3.192 1.00 0.00 O ATOM 1099 CB ARG A 42 1.653 -5.565 -5.904 1.00 0.00 C ATOM 1100 CG ARG A 42 1.167 -4.550 -6.940 1.00 0.00 C ATOM 1101 CD ARG A 42 0.186 -5.226 -7.907 1.00 0.00 C ATOM 1102 NE ARG A 42 0.974 -6.297 -8.579 1.00 0.00 N ATOM 1103 CZ ARG A 42 1.542 -6.064 -9.732 1.00 0.00 C ATOM 1104 NH1 ARG A 42 0.864 -6.219 -10.842 1.00 0.00 N ATOM 1105 NH2 ARG A 42 2.788 -5.679 -9.765 1.00 0.00 N ATOM 0 H ARG A 42 2.353 -4.128 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.242 -5.396 -4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.703 -5.389 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.581 -6.575 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.681 -3.711 -6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.015 -4.145 -7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.669 -5.642 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.207 -4.513 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 42 1.070 -7.212 -8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.109 -6.522 -10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.309 -6.037 -11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.309 -5.563 -8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.241 -5.494 -10.660 1.00 0.00 H new ATOM 1119 N SER A 43 0.056 -7.328 -3.271 1.00 0.00 N ATOM 1120 CA SER A 43 0.312 -8.365 -2.216 1.00 0.00 C ATOM 1121 C SER A 43 -0.189 -9.767 -2.556 1.00 0.00 C ATOM 1122 O SER A 43 -1.116 -9.960 -3.319 1.00 0.00 O ATOM 1123 CB SER A 43 -0.423 -7.840 -0.977 1.00 0.00 C ATOM 1124 OG SER A 43 -0.364 -6.415 -0.942 1.00 0.00 O ATOM 0 H SER A 43 -0.902 -7.264 -3.614 1.00 0.00 H new ATOM 0 HA SER A 43 1.387 -8.491 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.462 -8.169 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.027 -8.253 -0.075 1.00 0.00 H new ATOM 0 HG SER A 43 -0.837 -6.087 -0.149 1.00 0.00 H new ATOM 1130 N SER A 44 0.408 -10.737 -1.916 1.00 0.00 N ATOM 1131 CA SER A 44 -0.004 -12.156 -2.074 1.00 0.00 C ATOM 1132 C SER A 44 -0.585 -12.610 -0.726 1.00 0.00 C ATOM 1133 O SER A 44 -0.426 -11.929 0.275 1.00 0.00 O ATOM 1134 CB SER A 44 1.282 -12.920 -2.414 1.00 0.00 C ATOM 1135 OG SER A 44 2.366 -12.426 -1.625 1.00 0.00 O ATOM 0 H SER A 44 1.187 -10.596 -1.272 1.00 0.00 H new ATOM 0 HA SER A 44 -0.753 -12.320 -2.848 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.142 -13.985 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.512 -12.808 -3.474 1.00 0.00 H new ATOM 0 HG SER A 44 3.042 -12.027 -2.211 1.00 0.00 H new ATOM 1141 N GLN A 45 -1.263 -13.724 -0.667 1.00 0.00 N ATOM 1142 CA GLN A 45 -1.840 -14.155 0.650 1.00 0.00 C ATOM 1143 C GLN A 45 -0.781 -14.847 1.517 1.00 0.00 C ATOM 1144 O GLN A 45 -0.814 -14.748 2.727 1.00 0.00 O ATOM 1145 CB GLN A 45 -3.006 -15.100 0.327 1.00 0.00 C ATOM 1146 CG GLN A 45 -2.518 -16.338 -0.437 1.00 0.00 C ATOM 1147 CD GLN A 45 -3.715 -17.218 -0.828 1.00 0.00 C ATOM 1148 OE1 GLN A 45 -4.937 -16.806 -0.603 1.00 0.00 O flip ATOM 1149 NE2 GLN A 45 -3.539 -18.302 -1.351 1.00 0.00 N flip ATOM 0 H GLN A 45 -1.443 -14.347 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.187 -13.297 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.495 -15.408 1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.752 -14.572 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.973 -16.033 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.824 -16.907 0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.591 -18.633 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.339 -18.880 -1.609 1.00 0.00 H new ATOM 1158 N GLY A 46 0.155 -15.538 0.925 1.00 0.00 N ATOM 1159 CA GLY A 46 1.203 -16.219 1.745 1.00 0.00 C ATOM 1160 C GLY A 46 2.498 -16.320 0.940 1.00 0.00 C ATOM 1161 O GLY A 46 3.042 -17.394 0.754 1.00 0.00 O ATOM 0 H GLY A 46 0.241 -15.661 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.378 -15.662 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.864 -17.214 2.034 1.00 0.00 H new ATOM 1165 N GLN A 47 3.004 -15.211 0.464 1.00 0.00 N ATOM 1166 CA GLN A 47 4.272 -15.243 -0.324 1.00 0.00 C ATOM 1167 C GLN A 47 5.090 -13.972 -0.066 1.00 0.00 C ATOM 1168 O GLN A 47 4.567 -12.972 0.386 1.00 0.00 O ATOM 1169 CB GLN A 47 3.838 -15.310 -1.792 1.00 0.00 C ATOM 1170 CG GLN A 47 3.896 -16.762 -2.275 1.00 0.00 C ATOM 1171 CD GLN A 47 5.359 -17.205 -2.395 1.00 0.00 C ATOM 1172 OE1 GLN A 47 6.170 -16.506 -2.979 1.00 0.00 O ATOM 1173 NE2 GLN A 47 5.740 -18.330 -1.866 1.00 0.00 N ATOM 0 H GLN A 47 2.594 -14.285 0.587 1.00 0.00 H new ATOM 0 HA GLN A 47 4.901 -16.090 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.826 -14.919 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.489 -14.686 -2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.365 -17.410 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.397 -16.855 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.065 -18.918 -1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.714 -18.625 -1.940 1.00 0.00 H new ATOM 1182 N ARG A 48 6.366 -14.007 -0.360 1.00 0.00 N ATOM 1183 CA ARG A 48 7.225 -12.799 -0.144 1.00 0.00 C ATOM 1184 C ARG A 48 7.043 -11.815 -1.300 1.00 0.00 C ATOM 1185 O ARG A 48 7.223 -10.618 -1.148 1.00 0.00 O ATOM 1186 CB ARG A 48 8.670 -13.323 -0.109 1.00 0.00 C ATOM 1187 CG ARG A 48 9.160 -13.391 1.342 1.00 0.00 C ATOM 1188 CD ARG A 48 10.010 -12.154 1.667 1.00 0.00 C ATOM 1189 NE ARG A 48 11.292 -12.369 0.934 1.00 0.00 N ATOM 1190 CZ ARG A 48 12.218 -11.452 0.956 1.00 0.00 C ATOM 1191 NH1 ARG A 48 13.069 -11.410 1.952 1.00 0.00 N ATOM 1192 NH2 ARG A 48 12.286 -10.575 -0.013 1.00 0.00 N ATOM 0 H ARG A 48 6.851 -14.820 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 48 6.966 -12.272 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.720 -14.311 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.319 -12.669 -0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.308 -13.446 2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.747 -14.296 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.517 -11.238 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.179 -12.061 2.740 1.00 0.00 H new ATOM 0 HE ARG A 48 11.444 -13.234 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.005 -12.093 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.795 -10.694 1.973 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.616 -10.611 -0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.009 -9.856 0.000 1.00 0.00 H new ATOM 1206 N ARG A 49 6.700 -12.314 -2.450 1.00 0.00 N ATOM 1207 CA ARG A 49 6.511 -11.427 -3.629 1.00 0.00 C ATOM 1208 C ARG A 49 5.294 -10.520 -3.431 1.00 0.00 C ATOM 1209 O ARG A 49 4.248 -10.948 -2.973 1.00 0.00 O ATOM 1210 CB ARG A 49 6.314 -12.363 -4.836 1.00 0.00 C ATOM 1211 CG ARG A 49 4.948 -13.066 -4.765 1.00 0.00 C ATOM 1212 CD ARG A 49 4.900 -14.209 -5.785 1.00 0.00 C ATOM 1213 NE ARG A 49 5.879 -15.213 -5.288 1.00 0.00 N ATOM 1214 CZ ARG A 49 6.767 -15.707 -6.101 1.00 0.00 C ATOM 1215 NH1 ARG A 49 6.390 -16.496 -7.072 1.00 0.00 N ATOM 1216 NH2 ARG A 49 8.023 -15.390 -5.964 1.00 0.00 N ATOM 0 H ARG A 49 6.541 -13.306 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 49 7.367 -10.769 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.386 -11.791 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.110 -13.107 -4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.780 -13.455 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.150 -12.352 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.899 -14.635 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.166 -13.859 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 49 5.854 -15.513 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.403 -16.723 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.083 -16.885 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.310 -14.755 -5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.719 -15.777 -6.601 1.00 0.00 H new ATOM 1230 N GLY A 50 5.425 -9.273 -3.789 1.00 0.00 N ATOM 1231 CA GLY A 50 4.289 -8.318 -3.651 1.00 0.00 C ATOM 1232 C GLY A 50 4.182 -7.522 -4.948 1.00 0.00 C ATOM 1233 O GLY A 50 3.441 -7.893 -5.844 1.00 0.00 O ATOM 0 H GLY A 50 6.279 -8.871 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.361 -8.855 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.454 -7.649 -2.806 1.00 0.00 H new ATOM 1237 N PRO A 51 4.966 -6.474 -5.046 1.00 0.00 N ATOM 1238 CA PRO A 51 5.864 -6.032 -3.958 1.00 0.00 C ATOM 1239 C PRO A 51 5.264 -4.836 -3.203 1.00 0.00 C ATOM 1240 O PRO A 51 4.451 -4.100 -3.734 1.00 0.00 O ATOM 1241 CB PRO A 51 7.093 -5.576 -4.727 1.00 0.00 C ATOM 1242 CG PRO A 51 6.597 -5.210 -6.102 1.00 0.00 C ATOM 1243 CD PRO A 51 5.138 -5.610 -6.203 1.00 0.00 C ATOM 0 HA PRO A 51 6.052 -6.805 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.566 -4.723 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.840 -6.368 -4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.710 -4.140 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.184 -5.720 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.477 -4.744 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.925 -6.133 -7.135 1.00 0.00 H new ATOM 1251 N CYS A 52 5.691 -4.609 -1.991 1.00 0.00 N ATOM 1252 CA CYS A 52 5.184 -3.425 -1.230 1.00 0.00 C ATOM 1253 C CYS A 52 6.125 -2.249 -1.464 1.00 0.00 C ATOM 1254 O CYS A 52 7.328 -2.421 -1.553 1.00 0.00 O ATOM 1255 CB CYS A 52 5.210 -3.805 0.254 1.00 0.00 C ATOM 1256 SG CYS A 52 3.534 -3.816 0.926 1.00 0.00 S ATOM 0 H CYS A 52 6.367 -5.189 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 52 4.178 -3.148 -1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.665 -4.788 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.827 -3.097 0.807 1.00 0.00 H new ATOM 1261 N TRP A 53 5.608 -1.061 -1.529 1.00 0.00 N ATOM 1262 CA TRP A 53 6.501 0.122 -1.717 1.00 0.00 C ATOM 1263 C TRP A 53 5.888 1.344 -1.031 1.00 0.00 C ATOM 1264 O TRP A 53 4.681 1.497 -0.970 1.00 0.00 O ATOM 1265 CB TRP A 53 6.678 0.311 -3.235 1.00 0.00 C ATOM 1266 CG TRP A 53 5.430 0.820 -3.887 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.075 2.123 -3.974 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.390 0.066 -4.574 1.00 0.00 C ATOM 1269 NE1 TRP A 53 3.883 2.214 -4.667 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.420 0.973 -5.059 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.199 -1.303 -4.820 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.297 0.538 -5.764 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.069 -1.747 -5.528 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.120 -0.828 -6.000 1.00 0.00 C ATOM 0 H TRP A 53 4.612 -0.851 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 53 7.480 -0.022 -1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.494 1.009 -3.420 1.00 0.00 H new ATOM 0 HB3 TRP A 53 6.962 -0.639 -3.688 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.632 2.955 -3.569 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.403 3.092 -4.865 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.925 -2.019 -4.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.571 1.251 -6.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.930 -2.803 -5.710 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.254 -1.175 -6.545 1.00 0.00 H new ATOM 1285 N CYS A 54 6.717 2.193 -0.483 1.00 0.00 N ATOM 1286 CA CYS A 54 6.198 3.393 0.238 1.00 0.00 C ATOM 1287 C CYS A 54 5.810 4.485 -0.753 1.00 0.00 C ATOM 1288 O CYS A 54 6.399 4.621 -1.815 1.00 0.00 O ATOM 1289 CB CYS A 54 7.344 3.865 1.138 1.00 0.00 C ATOM 1290 SG CYS A 54 6.730 4.102 2.826 1.00 0.00 S ATOM 0 H CYS A 54 7.733 2.107 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 54 5.305 3.159 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.150 3.131 1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.759 4.798 0.757 1.00 0.00 H new ATOM 1295 N VAL A 55 4.823 5.259 -0.407 1.00 0.00 N ATOM 1296 CA VAL A 55 4.361 6.359 -1.303 1.00 0.00 C ATOM 1297 C VAL A 55 4.072 7.606 -0.459 1.00 0.00 C ATOM 1298 O VAL A 55 3.986 7.526 0.757 1.00 0.00 O ATOM 1299 CB VAL A 55 3.064 5.846 -1.952 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.391 4.758 -2.972 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.131 5.271 -0.878 1.00 0.00 C ATOM 0 H VAL A 55 4.308 5.177 0.470 1.00 0.00 H new ATOM 0 HA VAL A 55 5.105 6.624 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 55 2.568 6.678 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.469 4.398 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.043 5.167 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.895 3.931 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.215 4.910 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.628 4.445 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.886 6.049 -0.154 1.00 0.00 H new ATOM 1311 N ASP A 56 3.907 8.745 -1.082 1.00 0.00 N ATOM 1312 CA ASP A 56 3.589 9.972 -0.306 1.00 0.00 C ATOM 1313 C ASP A 56 2.074 10.180 -0.331 1.00 0.00 C ATOM 1314 O ASP A 56 1.351 9.411 -0.922 1.00 0.00 O ATOM 1315 CB ASP A 56 4.332 11.130 -0.994 1.00 0.00 C ATOM 1316 CG ASP A 56 3.588 11.574 -2.251 1.00 0.00 C ATOM 1317 OD1 ASP A 56 3.859 11.021 -3.302 1.00 0.00 O ATOM 1318 OD2 ASP A 56 2.777 12.476 -2.147 1.00 0.00 O ATOM 0 H ASP A 56 3.979 8.874 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 56 3.900 9.905 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.426 11.969 -0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.343 10.817 -1.255 1.00 0.00 H new ATOM 1323 N ARG A 57 1.601 11.200 0.318 1.00 0.00 N ATOM 1324 CA ARG A 57 0.116 11.474 0.376 1.00 0.00 C ATOM 1325 C ARG A 57 -0.563 11.359 -0.997 1.00 0.00 C ATOM 1326 O ARG A 57 -1.723 10.992 -1.080 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.011 12.900 0.916 1.00 0.00 C ATOM 1328 CG ARG A 57 0.830 13.039 2.184 1.00 0.00 C ATOM 1329 CD ARG A 57 0.219 14.084 3.113 1.00 0.00 C ATOM 1330 NE ARG A 57 0.562 15.396 2.494 1.00 0.00 N ATOM 1331 CZ ARG A 57 1.658 16.016 2.843 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.779 15.740 2.235 1.00 0.00 N ATOM 1333 NH2 ARG A 57 1.625 16.901 3.804 1.00 0.00 N ATOM 0 H ARG A 57 2.177 11.874 0.823 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.382 10.738 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.322 13.616 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.055 13.127 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.890 12.078 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.849 13.326 1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.860 13.956 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.627 14.004 4.120 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.059 15.810 1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.797 15.043 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.637 16.221 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.746 17.106 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.478 17.387 4.079 1.00 0.00 H new ATOM 1347 N MET A 58 0.125 11.659 -2.070 1.00 0.00 N ATOM 1348 CA MET A 58 -0.521 11.541 -3.408 1.00 0.00 C ATOM 1349 C MET A 58 -0.588 10.055 -3.801 1.00 0.00 C ATOM 1350 O MET A 58 -1.407 9.654 -4.610 1.00 0.00 O ATOM 1351 CB MET A 58 0.381 12.361 -4.354 1.00 0.00 C ATOM 1352 CG MET A 58 0.578 11.652 -5.696 1.00 0.00 C ATOM 1353 SD MET A 58 -0.416 12.479 -6.962 1.00 0.00 S ATOM 1354 CE MET A 58 -2.029 11.816 -6.464 1.00 0.00 C ATOM 0 H MET A 58 1.094 11.977 -2.076 1.00 0.00 H new ATOM 0 HA MET A 58 -1.545 11.914 -3.439 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.063 13.342 -4.522 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.350 12.526 -3.883 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.631 11.667 -5.977 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.285 10.605 -5.614 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.813 12.273 -7.068 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.040 10.736 -6.612 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.205 12.039 -5.412 1.00 0.00 H new ATOM 1364 N GLY A 59 0.245 9.231 -3.217 1.00 0.00 N ATOM 1365 CA GLY A 59 0.215 7.780 -3.538 1.00 0.00 C ATOM 1366 C GLY A 59 1.349 7.403 -4.498 1.00 0.00 C ATOM 1367 O GLY A 59 1.500 6.249 -4.839 1.00 0.00 O ATOM 0 H GLY A 59 0.946 9.506 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.304 7.199 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.745 7.523 -3.986 1.00 0.00 H new ATOM 1371 N LYS A 60 2.156 8.333 -4.945 1.00 0.00 N ATOM 1372 CA LYS A 60 3.246 7.939 -5.875 1.00 0.00 C ATOM 1373 C LYS A 60 4.378 7.266 -5.087 1.00 0.00 C ATOM 1374 O LYS A 60 4.612 7.556 -3.923 1.00 0.00 O ATOM 1375 CB LYS A 60 3.677 9.230 -6.577 1.00 0.00 C ATOM 1376 CG LYS A 60 5.046 9.681 -6.087 1.00 0.00 C ATOM 1377 CD LYS A 60 5.416 10.966 -6.816 1.00 0.00 C ATOM 1378 CE LYS A 60 4.969 12.198 -6.015 1.00 0.00 C ATOM 1379 NZ LYS A 60 5.749 12.172 -4.748 1.00 0.00 N ATOM 0 H LYS A 60 2.107 9.324 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 60 2.934 7.207 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.706 9.071 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.943 10.013 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.028 9.847 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.791 8.908 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.494 11.002 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.948 10.978 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.161 13.115 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.898 12.165 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.855 13.141 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.249 11.592 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.689 11.765 -4.927 1.00 0.00 H new ATOM 1393 N SER A 61 5.052 6.354 -5.722 1.00 0.00 N ATOM 1394 CA SER A 61 6.151 5.594 -5.068 1.00 0.00 C ATOM 1395 C SER A 61 7.277 6.518 -4.626 1.00 0.00 C ATOM 1396 O SER A 61 7.626 7.466 -5.305 1.00 0.00 O ATOM 1397 CB SER A 61 6.657 4.613 -6.134 1.00 0.00 C ATOM 1398 OG SER A 61 5.589 4.264 -7.016 1.00 0.00 O ATOM 0 H SER A 61 4.883 6.096 -6.694 1.00 0.00 H new ATOM 0 HA SER A 61 5.799 5.085 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.474 5.064 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.055 3.717 -5.657 1.00 0.00 H new ATOM 0 HG SER A 61 5.669 4.778 -7.847 1.00 0.00 H new ATOM 1404 N LEU A 62 7.826 6.238 -3.483 1.00 0.00 N ATOM 1405 CA LEU A 62 8.954 7.056 -2.936 1.00 0.00 C ATOM 1406 C LEU A 62 10.319 6.412 -3.268 1.00 0.00 C ATOM 1407 O LEU A 62 10.878 5.731 -2.423 1.00 0.00 O ATOM 1408 CB LEU A 62 8.740 7.068 -1.415 1.00 0.00 C ATOM 1409 CG LEU A 62 7.719 8.144 -1.033 1.00 0.00 C ATOM 1410 CD1 LEU A 62 7.221 7.890 0.393 1.00 0.00 C ATOM 1411 CD2 LEU A 62 8.380 9.524 -1.099 1.00 0.00 C ATOM 0 H LEU A 62 7.539 5.461 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 62 8.964 8.058 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.391 6.091 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.686 7.258 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 62 6.879 8.108 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.494 8.655 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.751 6.908 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.063 7.926 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.653 10.289 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.220 9.559 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.738 9.708 -2.112 1.00 0.00 H new ATOM 1423 N PRO A 63 10.840 6.638 -4.456 1.00 0.00 N ATOM 1424 CA PRO A 63 12.164 6.053 -4.807 1.00 0.00 C ATOM 1425 C PRO A 63 13.272 6.805 -4.056 1.00 0.00 C ATOM 1426 O PRO A 63 14.157 6.212 -3.470 1.00 0.00 O ATOM 1427 CB PRO A 63 12.270 6.278 -6.317 1.00 0.00 C ATOM 1428 CG PRO A 63 11.374 7.442 -6.601 1.00 0.00 C ATOM 1429 CD PRO A 63 10.278 7.421 -5.565 1.00 0.00 C ATOM 0 HA PRO A 63 12.264 5.001 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.297 6.490 -6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.955 5.394 -6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.931 8.378 -6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.956 7.371 -7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.013 8.429 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.370 6.962 -5.956 1.00 0.00 H new ATOM 1437 N GLY A 64 13.214 8.108 -4.074 1.00 0.00 N ATOM 1438 CA GLY A 64 14.238 8.937 -3.377 1.00 0.00 C ATOM 1439 C GLY A 64 13.999 10.402 -3.744 1.00 0.00 C ATOM 1440 O GLY A 64 14.906 11.115 -4.141 1.00 0.00 O ATOM 0 H GLY A 64 12.488 8.642 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.168 8.799 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.241 8.630 -3.673 1.00 0.00 H new ATOM 1444 N SER A 65 12.779 10.849 -3.638 1.00 0.00 N ATOM 1445 CA SER A 65 12.459 12.257 -3.999 1.00 0.00 C ATOM 1446 C SER A 65 12.124 13.061 -2.738 1.00 0.00 C ATOM 1447 O SER A 65 11.353 12.610 -1.912 1.00 0.00 O ATOM 1448 CB SER A 65 11.227 12.166 -4.912 1.00 0.00 C ATOM 1449 OG SER A 65 11.148 10.861 -5.501 1.00 0.00 O ATOM 0 H SER A 65 11.985 10.296 -3.315 1.00 0.00 H new ATOM 0 HA SER A 65 13.296 12.756 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.323 12.370 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.287 12.924 -5.693 1.00 0.00 H new ATOM 0 HG SER A 65 10.359 10.811 -6.080 1.00 0.00 H new ATOM 1455 N PRO A 66 12.698 14.236 -2.635 1.00 0.00 N ATOM 1456 CA PRO A 66 12.426 15.112 -1.464 1.00 0.00 C ATOM 1457 C PRO A 66 10.989 15.650 -1.511 1.00 0.00 C ATOM 1458 O PRO A 66 10.515 16.259 -0.572 1.00 0.00 O ATOM 1459 CB PRO A 66 13.449 16.238 -1.610 1.00 0.00 C ATOM 1460 CG PRO A 66 13.778 16.271 -3.067 1.00 0.00 C ATOM 1461 CD PRO A 66 13.634 14.862 -3.582 1.00 0.00 C ATOM 0 HA PRO A 66 12.514 14.592 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.038 17.191 -1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.337 16.045 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.108 16.947 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.792 16.638 -3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.244 14.846 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.592 14.343 -3.600 1.00 0.00 H new ATOM 1469 N ASP A 67 10.287 15.409 -2.590 1.00 0.00 N ATOM 1470 CA ASP A 67 8.877 15.881 -2.692 1.00 0.00 C ATOM 1471 C ASP A 67 7.999 15.096 -1.712 1.00 0.00 C ATOM 1472 O ASP A 67 6.921 15.531 -1.347 1.00 0.00 O ATOM 1473 CB ASP A 67 8.468 15.574 -4.136 1.00 0.00 C ATOM 1474 CG ASP A 67 6.957 15.723 -4.287 1.00 0.00 C ATOM 1475 OD1 ASP A 67 6.509 16.843 -4.423 1.00 0.00 O ATOM 1476 OD2 ASP A 67 6.274 14.714 -4.264 1.00 0.00 O ATOM 0 H ASP A 67 10.633 14.904 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 67 8.768 16.938 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.980 16.251 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.771 14.562 -4.402 1.00 0.00 H new ATOM 1481 N GLY A 68 8.456 13.946 -1.275 1.00 0.00 N ATOM 1482 CA GLY A 68 7.659 13.134 -0.316 1.00 0.00 C ATOM 1483 C GLY A 68 8.299 13.212 1.068 1.00 0.00 C ATOM 1484 O GLY A 68 8.412 12.219 1.763 1.00 0.00 O ATOM 0 H GLY A 68 9.351 13.538 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.634 13.501 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.614 12.097 -0.650 1.00 0.00 H new ATOM 1488 N ASN A 69 8.721 14.379 1.485 1.00 0.00 N ATOM 1489 CA ASN A 69 9.354 14.504 2.834 1.00 0.00 C ATOM 1490 C ASN A 69 8.269 14.534 3.915 1.00 0.00 C ATOM 1491 O ASN A 69 8.148 15.483 4.668 1.00 0.00 O ATOM 1492 CB ASN A 69 10.131 15.823 2.806 1.00 0.00 C ATOM 1493 CG ASN A 69 11.038 15.895 4.037 1.00 0.00 C ATOM 1494 OD1 ASN A 69 11.861 15.020 4.252 1.00 0.00 O ATOM 1495 ND2 ASN A 69 10.931 16.901 4.859 1.00 0.00 N ATOM 0 H ASN A 69 8.655 15.247 0.953 1.00 0.00 H new ATOM 0 HA ASN A 69 10.011 13.664 3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.727 15.890 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.440 16.666 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.534 16.955 5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.244 17.634 4.682 1.00 0.00 H new ATOM 1502 N GLY A 70 7.480 13.499 3.993 1.00 0.00 N ATOM 1503 CA GLY A 70 6.399 13.446 5.018 1.00 0.00 C ATOM 1504 C GLY A 70 6.620 12.229 5.908 1.00 0.00 C ATOM 1505 O GLY A 70 6.041 11.179 5.690 1.00 0.00 O ATOM 0 H GLY A 70 7.538 12.681 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.403 14.357 5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.424 13.387 4.534 1.00 0.00 H new ATOM 1509 N SER A 71 7.453 12.359 6.910 1.00 0.00 N ATOM 1510 CA SER A 71 7.715 11.204 7.820 1.00 0.00 C ATOM 1511 C SER A 71 6.394 10.651 8.362 1.00 0.00 C ATOM 1512 O SER A 71 6.210 9.450 8.442 1.00 0.00 O ATOM 1513 CB SER A 71 8.574 11.761 8.957 1.00 0.00 C ATOM 1514 OG SER A 71 9.588 12.613 8.421 1.00 0.00 O ATOM 0 H SER A 71 7.962 13.214 7.136 1.00 0.00 H new ATOM 0 HA SER A 71 8.218 10.385 7.305 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.951 12.317 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.030 10.943 9.515 1.00 0.00 H new ATOM 0 HG SER A 71 10.135 12.970 9.151 1.00 0.00 H new ATOM 1520 N SER A 72 5.463 11.514 8.706 1.00 0.00 N ATOM 1521 CA SER A 72 4.145 11.030 9.215 1.00 0.00 C ATOM 1522 C SER A 72 3.553 10.061 8.189 1.00 0.00 C ATOM 1523 O SER A 72 3.019 9.022 8.528 1.00 0.00 O ATOM 1524 CB SER A 72 3.255 12.276 9.358 1.00 0.00 C ATOM 1525 OG SER A 72 4.060 13.443 9.551 1.00 0.00 O ATOM 0 H SER A 72 5.562 12.528 8.655 1.00 0.00 H new ATOM 0 HA SER A 72 4.231 10.509 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.638 12.395 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.576 12.151 10.201 1.00 0.00 H new ATOM 0 HG SER A 72 3.481 14.229 9.639 1.00 0.00 H new ATOM 1531 N SER A 73 3.680 10.376 6.926 1.00 0.00 N ATOM 1532 CA SER A 73 3.166 9.457 5.879 1.00 0.00 C ATOM 1533 C SER A 73 4.136 8.286 5.746 1.00 0.00 C ATOM 1534 O SER A 73 3.797 7.160 6.045 1.00 0.00 O ATOM 1535 CB SER A 73 3.100 10.287 4.594 1.00 0.00 C ATOM 1536 OG SER A 73 2.284 11.433 4.823 1.00 0.00 O ATOM 0 H SER A 73 4.117 11.230 6.579 1.00 0.00 H new ATOM 0 HA SER A 73 2.184 9.045 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.102 10.592 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.690 9.689 3.780 1.00 0.00 H new ATOM 0 HG SER A 73 2.591 12.172 4.257 1.00 0.00 H new ATOM 1542 N CYS A 74 5.349 8.543 5.349 1.00 0.00 N ATOM 1543 CA CYS A 74 6.354 7.443 5.245 1.00 0.00 C ATOM 1544 C CYS A 74 7.757 8.002 5.513 1.00 0.00 C ATOM 1545 O CYS A 74 8.138 9.008 4.949 1.00 0.00 O ATOM 1546 CB CYS A 74 6.238 6.924 3.805 1.00 0.00 C ATOM 1547 SG CYS A 74 7.618 5.806 3.445 1.00 0.00 S ATOM 0 H CYS A 74 5.692 9.468 5.091 1.00 0.00 H new ATOM 0 HA CYS A 74 6.180 6.647 5.969 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.290 6.402 3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.243 7.760 3.106 1.00 0.00 H new ATOM 1552 N PRO A 75 8.484 7.319 6.367 1.00 0.00 N ATOM 1553 CA PRO A 75 9.860 7.739 6.713 1.00 0.00 C ATOM 1554 C PRO A 75 10.903 7.114 5.778 1.00 0.00 C ATOM 1555 O PRO A 75 11.892 7.734 5.433 1.00 0.00 O ATOM 1556 CB PRO A 75 10.040 7.183 8.119 1.00 0.00 C ATOM 1557 CG PRO A 75 9.099 6.015 8.228 1.00 0.00 C ATOM 1558 CD PRO A 75 8.089 6.114 7.105 1.00 0.00 C ATOM 0 HA PRO A 75 9.994 8.818 6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.071 6.870 8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.811 7.939 8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.649 5.076 8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.595 6.022 9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.115 5.230 6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.073 6.199 7.490 1.00 0.00 H new ATOM 1566 N THR A 76 10.720 5.874 5.413 1.00 0.00 N ATOM 1567 CA THR A 76 11.717 5.175 4.550 1.00 0.00 C ATOM 1568 C THR A 76 11.749 5.709 3.107 1.00 0.00 C ATOM 1569 O THR A 76 11.705 4.950 2.158 1.00 0.00 O ATOM 1570 CB THR A 76 11.288 3.704 4.583 1.00 0.00 C ATOM 1571 OG1 THR A 76 9.874 3.614 4.725 1.00 0.00 O ATOM 1572 CG2 THR A 76 11.960 3.015 5.768 1.00 0.00 C ATOM 0 H THR A 76 9.914 5.309 5.679 1.00 0.00 H new ATOM 0 HA THR A 76 12.730 5.333 4.919 1.00 0.00 H new ATOM 0 HB THR A 76 11.585 3.219 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.444 4.270 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 76 11.660 1.968 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.043 3.079 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.658 3.506 6.693 1.00 0.00 H new ATOM 1580 N GLY A 77 11.893 6.995 2.929 1.00 0.00 N ATOM 1581 CA GLY A 77 12.002 7.536 1.541 1.00 0.00 C ATOM 1582 C GLY A 77 13.413 7.195 1.075 1.00 0.00 C ATOM 1583 O GLY A 77 13.627 6.656 0.005 1.00 0.00 O ATOM 0 H GLY A 77 11.940 7.689 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.254 7.088 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.834 8.613 1.526 1.00 0.00 H new ATOM 1587 N SER A 78 14.367 7.464 1.921 1.00 0.00 N ATOM 1588 CA SER A 78 15.789 7.136 1.633 1.00 0.00 C ATOM 1589 C SER A 78 16.432 6.700 2.955 1.00 0.00 C ATOM 1590 O SER A 78 15.739 6.327 3.886 1.00 0.00 O ATOM 1591 CB SER A 78 16.425 8.433 1.108 1.00 0.00 C ATOM 1592 OG SER A 78 15.525 9.082 0.213 1.00 0.00 O ATOM 0 H SER A 78 14.214 7.910 2.825 1.00 0.00 H new ATOM 0 HA SER A 78 15.915 6.337 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.665 9.094 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.362 8.209 0.598 1.00 0.00 H new ATOM 0 HG SER A 78 15.933 9.909 -0.119 1.00 0.00 H new ATOM 1598 N SER A 79 17.724 6.754 3.077 1.00 0.00 N ATOM 1599 CA SER A 79 18.354 6.359 4.368 1.00 0.00 C ATOM 1600 C SER A 79 18.172 7.503 5.379 1.00 0.00 C ATOM 1601 O SER A 79 19.114 8.174 5.762 1.00 0.00 O ATOM 1602 CB SER A 79 19.830 6.119 4.044 1.00 0.00 C ATOM 1603 OG SER A 79 19.938 5.039 3.118 1.00 0.00 O ATOM 0 H SER A 79 18.370 7.052 2.346 1.00 0.00 H new ATOM 0 HA SER A 79 17.910 5.466 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.273 7.021 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.382 5.889 4.955 1.00 0.00 H new ATOM 0 HG SER A 79 20.882 4.883 2.906 1.00 0.00 H new ATOM 1609 N GLY A 80 16.954 7.737 5.794 1.00 0.00 N ATOM 1610 CA GLY A 80 16.671 8.835 6.765 1.00 0.00 C ATOM 1611 C GLY A 80 15.607 8.375 7.763 1.00 0.00 C ATOM 1612 O GLY A 80 15.916 7.538 8.585 1.00 0.00 O ATOM 1613 OXT GLY A 80 14.498 8.870 7.693 1.00 0.00 O ATOM 0 H GLY A 80 16.134 7.208 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.584 9.112 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.327 9.723 6.235 1.00 0.00 H new TER 1617 GLY A 80