USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.253 (180deg=-0.177!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 7 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -159:sc= -0.214 (180deg=-0.779) USER MOD Single : A 12 ASN : amide:sc= 0.206 K(o=0.21,f=-3.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 17 THR OG1 : rot 84:sc= 0.863 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.276 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0465) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0391 (180deg=-0.29) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.303 K(o=0.3,f=-1.7) USER MOD Single : A 44 SER OG : rot 180:sc= -0.05 USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= -0.953! (180deg=-5.72!) USER MOD Single : A 52 CYS SG : rot 62:sc= -0.357 USER MOD Single : A 62 THR OG1 : rot 88:sc= 1.13 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -0.0839 (180deg=-0.502) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -157:sc= -1.88 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.776 K(o=0.78,f=-7.4!) USER MOD Single : A 87 CYS SG : rot 158:sc= -0.269 USER MOD Single : A 90 SER OG : rot 170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 102 TYR OH : rot -160:sc= 0.583 USER MOD Single : A 103 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.5) USER MOD Single : A 105 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.089) USER MOD Single : A 106 ASN : amide:sc= -0.895 K(o=-0.9,f=-2.9!) USER MOD Single : A 108 ASN : amide:sc= -0.339 K(o=-0.34,f=-7.4!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 1.89 (180deg=1.89) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 68:sc= 0.332 USER MOD Single : A 116 THR OG1 : rot 76:sc= 0.298 USER MOD Single : A 118 ASN :FLIP amide:sc=-0.000113 F(o=-0.91,f=-0.00011) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -87:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.610 25.366 -37.153 1.00 41.12 N ATOM 2 CA MET A 1 -1.781 24.383 -36.406 1.00 53.30 C ATOM 3 C MET A 1 -1.815 24.670 -34.900 1.00 41.32 C ATOM 4 O MET A 1 -1.852 25.829 -34.482 1.00 63.35 O ATOM 5 CB MET A 1 -0.326 24.414 -36.903 1.00 14.11 C ATOM 6 CG MET A 1 -0.160 23.992 -38.355 1.00 32.03 C ATOM 7 SD MET A 1 -1.179 24.967 -39.475 1.00 11.23 S ATOM 8 CE MET A 1 -0.699 24.271 -41.058 1.00 51.43 C ATOM 0 H1 MET A 1 -2.402 25.294 -38.169 1.00 41.12 H new ATOM 0 H2 MET A 1 -3.617 25.165 -36.991 1.00 41.12 H new ATOM 0 H3 MET A 1 -2.391 26.327 -36.822 1.00 41.12 H new ATOM 0 HA MET A 1 -2.199 23.392 -36.585 1.00 53.30 H new ATOM 0 HB2 MET A 1 0.067 25.423 -36.781 1.00 14.11 H new ATOM 0 HB3 MET A 1 0.276 23.759 -36.274 1.00 14.11 H new ATOM 0 HG2 MET A 1 0.887 24.091 -38.642 1.00 32.03 H new ATOM 0 HG3 MET A 1 -0.420 22.938 -38.456 1.00 32.03 H new ATOM 0 HE1 MET A 1 -1.246 24.772 -41.857 1.00 51.43 H new ATOM 0 HE2 MET A 1 0.371 24.411 -41.208 1.00 51.43 H new ATOM 0 HE3 MET A 1 -0.931 23.206 -41.072 1.00 51.43 H new ATOM 20 N GLY A 2 -1.805 23.610 -34.094 1.00 43.04 N ATOM 21 CA GLY A 2 -1.785 23.765 -32.643 1.00 0.33 C ATOM 22 C GLY A 2 -0.401 24.120 -32.104 1.00 34.43 C ATOM 23 O GLY A 2 0.508 24.456 -32.868 1.00 71.43 O ATOM 0 H GLY A 2 -1.810 22.643 -34.418 1.00 43.04 H new ATOM 0 HA2 GLY A 2 -2.492 24.543 -32.356 1.00 0.33 H new ATOM 0 HA3 GLY A 2 -2.124 22.839 -32.179 1.00 0.33 H new ATOM 27 N HIS A 3 -0.234 24.050 -30.785 1.00 12.23 N ATOM 28 CA HIS A 3 1.059 24.340 -30.160 1.00 14.10 C ATOM 29 C HIS A 3 2.022 23.153 -30.306 1.00 42.30 C ATOM 30 O HIS A 3 1.837 22.107 -29.681 1.00 13.23 O ATOM 31 CB HIS A 3 0.874 24.693 -28.678 1.00 60.32 C ATOM 32 CG HIS A 3 0.106 25.959 -28.459 1.00 64.45 C ATOM 33 ND1 HIS A 3 -1.190 25.983 -27.994 1.00 32.11 N ATOM 34 CD2 HIS A 3 0.464 27.253 -28.620 1.00 31.32 C ATOM 35 CE1 HIS A 3 -1.594 27.230 -27.883 1.00 12.00 C ATOM 36 NE2 HIS A 3 -0.612 28.022 -28.253 1.00 45.10 N ATOM 0 H HIS A 3 -0.973 23.796 -30.129 1.00 12.23 H new ATOM 0 HA HIS A 3 1.494 25.197 -30.674 1.00 14.10 H new ATOM 0 HB2 HIS A 3 0.358 23.873 -28.179 1.00 60.32 H new ATOM 0 HB3 HIS A 3 1.854 24.786 -28.209 1.00 60.32 H new ATOM 0 HD2 HIS A 3 1.419 27.614 -28.972 1.00 31.32 H new ATOM 0 HE1 HIS A 3 -2.569 27.549 -27.545 1.00 12.00 H new ATOM 0 HE2 HIS A 3 -0.644 29.041 -28.265 1.00 45.10 H new ATOM 45 N HIS A 4 3.047 23.324 -31.142 1.00 45.04 N ATOM 46 CA HIS A 4 4.043 22.276 -31.385 1.00 22.23 C ATOM 47 C HIS A 4 4.829 21.951 -30.099 1.00 64.31 C ATOM 48 O HIS A 4 5.388 20.863 -29.954 1.00 45.32 O ATOM 49 CB HIS A 4 4.995 22.709 -32.510 1.00 41.42 C ATOM 50 CG HIS A 4 5.868 21.604 -33.030 1.00 40.21 C ATOM 51 ND1 HIS A 4 5.363 20.404 -33.483 1.00 20.33 N ATOM 52 CD2 HIS A 4 7.213 21.520 -33.179 1.00 4.25 C ATOM 53 CE1 HIS A 4 6.352 19.636 -33.889 1.00 3.25 C ATOM 54 NE2 HIS A 4 7.482 20.288 -33.716 1.00 73.33 N ATOM 0 H HIS A 4 3.211 24.184 -31.666 1.00 45.04 H new ATOM 0 HA HIS A 4 3.523 21.369 -31.694 1.00 22.23 H new ATOM 0 HB2 HIS A 4 4.407 23.112 -33.335 1.00 41.42 H new ATOM 0 HB3 HIS A 4 5.628 23.517 -32.145 1.00 41.42 H new ATOM 0 HD2 HIS A 4 7.936 22.280 -32.923 1.00 4.25 H new ATOM 0 HE1 HIS A 4 6.253 18.640 -34.295 1.00 3.25 H new ATOM 0 HE2 HIS A 4 8.410 19.933 -33.945 1.00 73.33 H new ATOM 63 N HIS A 5 4.883 22.914 -29.182 1.00 1.24 N ATOM 64 CA HIS A 5 5.443 22.693 -27.843 1.00 61.32 C ATOM 65 C HIS A 5 4.324 22.375 -26.838 1.00 4.13 C ATOM 66 O HIS A 5 3.500 23.236 -26.519 1.00 73.33 O ATOM 67 CB HIS A 5 6.224 23.927 -27.371 1.00 14.15 C ATOM 68 CG HIS A 5 7.404 24.268 -28.231 1.00 40.05 C ATOM 69 ND1 HIS A 5 7.353 25.206 -29.238 1.00 62.23 N ATOM 70 CD2 HIS A 5 8.678 23.805 -28.220 1.00 11.41 C ATOM 71 CE1 HIS A 5 8.534 25.306 -29.809 1.00 71.21 C ATOM 72 NE2 HIS A 5 9.356 24.469 -29.212 1.00 21.14 N ATOM 0 H HIS A 5 4.544 23.863 -29.340 1.00 1.24 H new ATOM 0 HA HIS A 5 6.125 21.844 -27.899 1.00 61.32 H new ATOM 0 HB2 HIS A 5 5.549 24.782 -27.342 1.00 14.15 H new ATOM 0 HB3 HIS A 5 6.568 23.758 -26.351 1.00 14.15 H new ATOM 0 HD2 HIS A 5 9.083 23.055 -27.556 1.00 11.41 H new ATOM 0 HE1 HIS A 5 8.786 25.963 -30.628 1.00 71.21 H new ATOM 0 HE2 HIS A 5 10.339 24.335 -29.449 1.00 21.14 H new ATOM 81 N HIS A 6 4.299 21.141 -26.342 1.00 71.33 N ATOM 82 CA HIS A 6 3.269 20.712 -25.391 1.00 13.15 C ATOM 83 C HIS A 6 3.564 21.236 -23.978 1.00 5.34 C ATOM 84 O HIS A 6 4.447 20.731 -23.281 1.00 31.15 O ATOM 85 CB HIS A 6 3.152 19.182 -25.379 1.00 2.32 C ATOM 86 CG HIS A 6 2.811 18.606 -26.718 1.00 64.04 C ATOM 87 ND1 HIS A 6 3.723 17.938 -27.506 1.00 34.05 N ATOM 88 CD2 HIS A 6 1.646 18.597 -27.409 1.00 13.13 C ATOM 89 CE1 HIS A 6 3.138 17.550 -28.621 1.00 1.12 C ATOM 90 NE2 HIS A 6 1.879 17.936 -28.589 1.00 54.23 N ATOM 0 H HIS A 6 4.978 20.418 -26.581 1.00 71.33 H new ATOM 0 HA HIS A 6 2.318 21.134 -25.716 1.00 13.15 H new ATOM 0 HB2 HIS A 6 4.094 18.755 -25.036 1.00 2.32 H new ATOM 0 HB3 HIS A 6 2.388 18.888 -24.659 1.00 2.32 H new ATOM 0 HD2 HIS A 6 0.709 19.029 -27.091 1.00 13.13 H new ATOM 0 HE1 HIS A 6 3.611 17.007 -29.426 1.00 1.12 H new ATOM 0 HE2 HIS A 6 1.189 17.771 -29.322 1.00 54.23 H new ATOM 99 N HIS A 7 2.816 22.259 -23.568 1.00 21.25 N ATOM 100 CA HIS A 7 2.996 22.877 -22.250 1.00 65.30 C ATOM 101 C HIS A 7 2.381 22.003 -21.147 1.00 52.21 C ATOM 102 O HIS A 7 2.921 21.894 -20.045 1.00 2.20 O ATOM 103 CB HIS A 7 2.358 24.273 -22.229 1.00 31.31 C ATOM 104 CG HIS A 7 2.834 25.166 -23.336 1.00 74.33 C ATOM 105 ND1 HIS A 7 3.913 26.013 -23.213 1.00 65.22 N ATOM 106 CD2 HIS A 7 2.369 25.339 -24.597 1.00 2.22 C ATOM 107 CE1 HIS A 7 4.092 26.666 -24.342 1.00 34.40 C ATOM 108 NE2 HIS A 7 3.172 26.276 -25.199 1.00 45.10 N ATOM 0 H HIS A 7 2.076 22.681 -24.130 1.00 21.25 H new ATOM 0 HA HIS A 7 4.065 22.969 -22.060 1.00 65.30 H new ATOM 0 HB2 HIS A 7 1.275 24.170 -22.297 1.00 31.31 H new ATOM 0 HB3 HIS A 7 2.574 24.748 -21.272 1.00 31.31 H new ATOM 0 HD2 HIS A 7 1.525 24.835 -25.044 1.00 2.22 H new ATOM 0 HE1 HIS A 7 4.863 27.398 -24.533 1.00 34.40 H new ATOM 0 HE2 HIS A 7 3.072 26.615 -26.156 1.00 45.10 H new ATOM 117 N HIS A 8 1.246 21.383 -21.461 1.00 62.25 N ATOM 118 CA HIS A 8 0.558 20.494 -20.519 1.00 60.22 C ATOM 119 C HIS A 8 0.745 19.025 -20.922 1.00 44.24 C ATOM 120 O HIS A 8 0.279 18.601 -21.982 1.00 73.14 O ATOM 121 CB HIS A 8 -0.935 20.837 -20.459 1.00 72.12 C ATOM 122 CG HIS A 8 -1.197 22.267 -20.115 1.00 4.55 C ATOM 123 ND1 HIS A 8 -1.192 22.748 -18.823 1.00 63.42 N ATOM 124 CD2 HIS A 8 -1.456 23.333 -20.907 1.00 30.42 C ATOM 125 CE1 HIS A 8 -1.438 24.041 -18.837 1.00 75.20 C ATOM 126 NE2 HIS A 8 -1.601 24.420 -20.086 1.00 14.52 N ATOM 0 H HIS A 8 0.779 21.478 -22.363 1.00 62.25 H new ATOM 0 HA HIS A 8 0.995 20.639 -19.531 1.00 60.22 H new ATOM 0 HB2 HIS A 8 -1.392 20.612 -21.423 1.00 72.12 H new ATOM 0 HB3 HIS A 8 -1.419 20.198 -19.720 1.00 72.12 H new ATOM 0 HD2 HIS A 8 -1.534 23.328 -21.984 1.00 30.42 H new ATOM 0 HE1 HIS A 8 -1.496 24.682 -17.970 1.00 75.20 H new ATOM 0 HE2 HIS A 8 -1.803 25.371 -20.394 1.00 14.52 H new ATOM 135 N SER A 9 1.431 18.261 -20.079 1.00 75.03 N ATOM 136 CA SER A 9 1.680 16.834 -20.338 1.00 73.23 C ATOM 137 C SER A 9 1.319 15.977 -19.117 1.00 4.31 C ATOM 138 O SER A 9 0.982 16.500 -18.054 1.00 22.45 O ATOM 139 CB SER A 9 3.149 16.604 -20.729 1.00 52.44 C ATOM 140 OG SER A 9 3.455 17.239 -21.964 1.00 14.41 O ATOM 0 H SER A 9 1.829 18.602 -19.204 1.00 75.03 H new ATOM 0 HA SER A 9 1.042 16.531 -21.168 1.00 73.23 H new ATOM 0 HB2 SER A 9 3.802 16.990 -19.946 1.00 52.44 H new ATOM 0 HB3 SER A 9 3.344 15.535 -20.808 1.00 52.44 H new ATOM 0 HG SER A 9 4.395 17.079 -22.190 1.00 14.41 H new ATOM 146 N HIS A 10 1.387 14.656 -19.271 1.00 25.21 N ATOM 147 CA HIS A 10 0.978 13.729 -18.204 1.00 70.24 C ATOM 148 C HIS A 10 2.182 13.181 -17.412 1.00 15.33 C ATOM 149 O HIS A 10 3.339 13.404 -17.776 1.00 21.33 O ATOM 150 CB HIS A 10 0.153 12.583 -18.802 1.00 3.45 C ATOM 151 CG HIS A 10 -1.053 13.059 -19.562 1.00 50.53 C ATOM 152 ND1 HIS A 10 -1.287 12.740 -20.882 1.00 1.21 N ATOM 153 CD2 HIS A 10 -2.089 13.848 -19.181 1.00 62.55 C ATOM 154 CE1 HIS A 10 -2.408 13.307 -21.280 1.00 32.44 C ATOM 155 NE2 HIS A 10 -2.913 13.984 -20.270 1.00 60.55 N ATOM 0 H HIS A 10 1.720 14.199 -20.120 1.00 25.21 H new ATOM 0 HA HIS A 10 0.365 14.286 -17.496 1.00 70.24 H new ATOM 0 HB2 HIS A 10 0.786 11.996 -19.468 1.00 3.45 H new ATOM 0 HB3 HIS A 10 -0.169 11.918 -18.000 1.00 3.45 H new ATOM 0 HD2 HIS A 10 -2.237 14.286 -18.205 1.00 62.55 H new ATOM 0 HE1 HIS A 10 -2.839 13.230 -22.267 1.00 32.44 H new ATOM 0 HE2 HIS A 10 -3.778 14.523 -20.293 1.00 60.55 H new ATOM 164 N MET A 11 1.899 12.448 -16.332 1.00 5.33 N ATOM 165 CA MET A 11 2.950 11.963 -15.420 1.00 25.52 C ATOM 166 C MET A 11 3.090 10.430 -15.446 1.00 4.24 C ATOM 167 O MET A 11 2.489 9.746 -16.277 1.00 74.44 O ATOM 168 CB MET A 11 2.650 12.424 -13.986 1.00 71.34 C ATOM 169 CG MET A 11 2.646 13.939 -13.813 1.00 33.41 C ATOM 170 SD MET A 11 2.267 14.445 -12.123 1.00 1.32 S ATOM 171 CE MET A 11 0.635 13.735 -11.911 1.00 52.51 C ATOM 0 H MET A 11 0.953 12.175 -16.064 1.00 5.33 H new ATOM 0 HA MET A 11 3.894 12.386 -15.764 1.00 25.52 H new ATOM 0 HB2 MET A 11 1.679 12.031 -13.684 1.00 71.34 H new ATOM 0 HB3 MET A 11 3.392 11.993 -13.313 1.00 71.34 H new ATOM 0 HG2 MET A 11 3.621 14.336 -14.097 1.00 33.41 H new ATOM 0 HG3 MET A 11 1.914 14.376 -14.492 1.00 33.41 H new ATOM 0 HE1 MET A 11 0.117 14.249 -11.102 1.00 52.51 H new ATOM 0 HE2 MET A 11 0.067 13.846 -12.835 1.00 52.51 H new ATOM 0 HE3 MET A 11 0.728 12.677 -11.667 1.00 52.51 H new ATOM 181 N ASN A 12 3.912 9.912 -14.531 1.00 60.40 N ATOM 182 CA ASN A 12 4.127 8.467 -14.379 1.00 71.11 C ATOM 183 C ASN A 12 3.145 7.863 -13.352 1.00 33.12 C ATOM 184 O ASN A 12 2.727 8.540 -12.409 1.00 31.14 O ATOM 185 CB ASN A 12 5.584 8.214 -13.945 1.00 63.33 C ATOM 186 CG ASN A 12 5.901 6.749 -13.688 1.00 61.41 C ATOM 187 OD1 ASN A 12 5.286 5.854 -14.255 1.00 31.12 O ATOM 188 ND2 ASN A 12 6.867 6.493 -12.828 1.00 22.04 N ATOM 0 H ASN A 12 4.448 10.479 -13.874 1.00 60.40 H new ATOM 0 HA ASN A 12 3.942 7.980 -15.337 1.00 71.11 H new ATOM 0 HB2 ASN A 12 6.254 8.591 -14.717 1.00 63.33 H new ATOM 0 HB3 ASN A 12 5.788 8.785 -13.039 1.00 63.33 H new ATOM 0 HD21 ASN A 12 7.121 5.528 -12.619 1.00 22.04 H new ATOM 0 HD22 ASN A 12 7.361 7.260 -12.372 1.00 22.04 H new ATOM 195 N SER A 13 2.812 6.579 -13.530 1.00 51.41 N ATOM 196 CA SER A 13 1.861 5.863 -12.652 1.00 20.31 C ATOM 197 C SER A 13 2.200 6.019 -11.159 1.00 52.13 C ATOM 198 O SER A 13 1.318 5.999 -10.302 1.00 52.44 O ATOM 199 CB SER A 13 1.829 4.368 -13.015 1.00 25.10 C ATOM 200 OG SER A 13 1.477 4.173 -14.377 1.00 63.14 O ATOM 0 H SER A 13 3.189 6.003 -14.282 1.00 51.41 H new ATOM 0 HA SER A 13 0.881 6.312 -12.816 1.00 20.31 H new ATOM 0 HB2 SER A 13 2.806 3.924 -12.823 1.00 25.10 H new ATOM 0 HB3 SER A 13 1.113 3.852 -12.375 1.00 25.10 H new ATOM 0 HG SER A 13 1.467 3.214 -14.578 1.00 63.14 H new ATOM 206 N ALA A 14 3.484 6.173 -10.851 1.00 10.11 N ATOM 207 CA ALA A 14 3.928 6.356 -9.465 1.00 23.53 C ATOM 208 C ALA A 14 3.653 7.778 -8.951 1.00 22.11 C ATOM 209 O ALA A 14 3.216 7.962 -7.818 1.00 52.42 O ATOM 210 CB ALA A 14 5.408 6.030 -9.345 1.00 64.32 C ATOM 0 H ALA A 14 4.238 6.175 -11.538 1.00 10.11 H new ATOM 0 HA ALA A 14 3.352 5.670 -8.843 1.00 23.53 H new ATOM 0 HB1 ALA A 14 5.729 6.169 -8.312 1.00 64.32 H new ATOM 0 HB2 ALA A 14 5.578 4.995 -9.642 1.00 64.32 H new ATOM 0 HB3 ALA A 14 5.980 6.692 -9.995 1.00 64.32 H new ATOM 216 N GLU A 15 3.893 8.780 -9.799 1.00 41.02 N ATOM 217 CA GLU A 15 3.760 10.192 -9.401 1.00 33.22 C ATOM 218 C GLU A 15 2.324 10.539 -8.971 1.00 4.15 C ATOM 219 O GLU A 15 2.116 11.341 -8.057 1.00 50.44 O ATOM 220 CB GLU A 15 4.210 11.112 -10.547 1.00 41.13 C ATOM 221 CG GLU A 15 5.668 10.909 -10.950 1.00 60.10 C ATOM 222 CD GLU A 15 6.115 11.861 -12.050 1.00 2.30 C ATOM 223 OE1 GLU A 15 5.877 11.556 -13.237 1.00 42.42 O ATOM 224 OE2 GLU A 15 6.704 12.918 -11.729 1.00 51.33 O ATOM 0 H GLU A 15 4.181 8.644 -10.768 1.00 41.02 H new ATOM 0 HA GLU A 15 4.406 10.350 -8.537 1.00 33.22 H new ATOM 0 HB2 GLU A 15 3.573 10.938 -11.414 1.00 41.13 H new ATOM 0 HB3 GLU A 15 4.064 12.150 -10.248 1.00 41.13 H new ATOM 0 HG2 GLU A 15 6.304 11.047 -10.076 1.00 60.10 H new ATOM 0 HG3 GLU A 15 5.807 9.882 -11.286 1.00 60.10 H new ATOM 231 N GLN A 16 1.336 9.937 -9.630 1.00 70.20 N ATOM 232 CA GLN A 16 -0.067 10.114 -9.233 1.00 71.21 C ATOM 233 C GLN A 16 -0.353 9.399 -7.897 1.00 13.40 C ATOM 234 O GLN A 16 -1.137 9.881 -7.075 1.00 0.10 O ATOM 235 CB GLN A 16 -1.020 9.593 -10.325 1.00 31.34 C ATOM 236 CG GLN A 16 -0.973 8.081 -10.523 1.00 32.42 C ATOM 237 CD GLN A 16 -1.978 7.573 -11.545 1.00 44.42 C ATOM 238 OE1 GLN A 16 -2.315 8.259 -12.505 1.00 71.41 O ATOM 239 NE2 GLN A 16 -2.470 6.370 -11.340 1.00 14.13 N ATOM 0 H GLN A 16 1.475 9.326 -10.435 1.00 70.20 H new ATOM 0 HA GLN A 16 -0.242 11.182 -9.102 1.00 71.21 H new ATOM 0 HB2 GLN A 16 -2.039 9.884 -10.072 1.00 31.34 H new ATOM 0 HB3 GLN A 16 -0.775 10.080 -11.269 1.00 31.34 H new ATOM 0 HG2 GLN A 16 0.030 7.795 -10.838 1.00 32.42 H new ATOM 0 HG3 GLN A 16 -1.159 7.591 -9.567 1.00 32.42 H new ATOM 0 HE21 GLN A 16 -2.168 5.826 -10.532 1.00 14.13 H new ATOM 0 HE22 GLN A 16 -3.153 5.981 -11.990 1.00 14.13 H new ATOM 248 N THR A 17 0.310 8.259 -7.683 1.00 44.12 N ATOM 249 CA THR A 17 0.111 7.445 -6.475 1.00 41.34 C ATOM 250 C THR A 17 0.719 8.108 -5.228 1.00 31.23 C ATOM 251 O THR A 17 0.104 8.116 -4.163 1.00 52.45 O ATOM 252 CB THR A 17 0.716 6.030 -6.645 1.00 73.23 C ATOM 253 OG1 THR A 17 0.121 5.376 -7.780 1.00 40.23 O ATOM 254 CG2 THR A 17 0.497 5.175 -5.399 1.00 31.51 C ATOM 0 H THR A 17 0.994 7.875 -8.334 1.00 44.12 H new ATOM 0 HA THR A 17 -0.967 7.362 -6.334 1.00 41.34 H new ATOM 0 HB THR A 17 1.789 6.144 -6.800 1.00 73.23 H new ATOM 0 HG1 THR A 17 0.590 5.647 -8.597 1.00 40.23 H new ATOM 0 HG21 THR A 17 0.934 4.189 -5.553 1.00 31.51 H new ATOM 0 HG22 THR A 17 0.972 5.653 -4.542 1.00 31.51 H new ATOM 0 HG23 THR A 17 -0.572 5.073 -5.211 1.00 31.51 H new ATOM 262 N VAL A 18 1.924 8.666 -5.366 1.00 53.11 N ATOM 263 CA VAL A 18 2.583 9.366 -4.253 1.00 24.24 C ATOM 264 C VAL A 18 1.647 10.412 -3.631 1.00 11.40 C ATOM 265 O VAL A 18 1.334 10.358 -2.442 1.00 1.21 O ATOM 266 CB VAL A 18 3.888 10.070 -4.712 1.00 41.40 C ATOM 267 CG1 VAL A 18 4.535 10.830 -3.553 1.00 31.23 C ATOM 268 CG2 VAL A 18 4.868 9.069 -5.319 1.00 62.23 C ATOM 0 H VAL A 18 2.464 8.649 -6.231 1.00 53.11 H new ATOM 0 HA VAL A 18 2.832 8.609 -3.509 1.00 24.24 H new ATOM 0 HB VAL A 18 3.624 10.792 -5.485 1.00 41.40 H new ATOM 0 HG11 VAL A 18 5.448 11.315 -3.900 1.00 31.23 H new ATOM 0 HG12 VAL A 18 3.842 11.585 -3.181 1.00 31.23 H new ATOM 0 HG13 VAL A 18 4.777 10.133 -2.751 1.00 31.23 H new ATOM 0 HG21 VAL A 18 5.773 9.590 -5.632 1.00 62.23 H new ATOM 0 HG22 VAL A 18 5.123 8.313 -4.576 1.00 62.23 H new ATOM 0 HG23 VAL A 18 4.409 8.589 -6.183 1.00 62.23 H new ATOM 278 N THR A 19 1.193 11.356 -4.452 1.00 65.54 N ATOM 279 CA THR A 19 0.264 12.396 -3.999 1.00 65.43 C ATOM 280 C THR A 19 -1.055 11.789 -3.485 1.00 11.12 C ATOM 281 O THR A 19 -1.626 12.263 -2.503 1.00 32.55 O ATOM 282 CB THR A 19 -0.041 13.403 -5.133 1.00 40.22 C ATOM 283 OG1 THR A 19 1.183 13.963 -5.640 1.00 74.54 O ATOM 284 CG2 THR A 19 -0.947 14.529 -4.645 1.00 72.53 C ATOM 0 H THR A 19 1.452 11.425 -5.436 1.00 65.54 H new ATOM 0 HA THR A 19 0.751 12.921 -3.177 1.00 65.43 H new ATOM 0 HB THR A 19 -0.556 12.863 -5.927 1.00 40.22 H new ATOM 0 HG1 THR A 19 0.979 14.598 -6.358 1.00 74.54 H new ATOM 0 HG21 THR A 19 -1.143 15.220 -5.465 1.00 72.53 H new ATOM 0 HG22 THR A 19 -1.889 14.110 -4.291 1.00 72.53 H new ATOM 0 HG23 THR A 19 -0.458 15.062 -3.830 1.00 72.53 H new ATOM 292 N TRP A 20 -1.522 10.729 -4.150 1.00 23.42 N ATOM 293 CA TRP A 20 -2.749 10.024 -3.748 1.00 12.42 C ATOM 294 C TRP A 20 -2.659 9.501 -2.299 1.00 15.15 C ATOM 295 O TRP A 20 -3.622 9.590 -1.532 1.00 10.21 O ATOM 296 CB TRP A 20 -3.024 8.865 -4.719 1.00 61.33 C ATOM 297 CG TRP A 20 -4.258 8.070 -4.408 1.00 71.40 C ATOM 298 CD1 TRP A 20 -5.524 8.552 -4.222 1.00 41.35 C ATOM 299 CD2 TRP A 20 -4.345 6.646 -4.268 1.00 50.24 C ATOM 300 NE1 TRP A 20 -6.389 7.517 -3.964 1.00 33.43 N ATOM 301 CE2 TRP A 20 -5.688 6.337 -3.988 1.00 72.10 C ATOM 302 CE3 TRP A 20 -3.415 5.604 -4.349 1.00 24.05 C ATOM 303 CZ2 TRP A 20 -6.125 5.029 -3.793 1.00 71.52 C ATOM 304 CZ3 TRP A 20 -3.850 4.306 -4.152 1.00 73.04 C ATOM 305 CH2 TRP A 20 -5.194 4.030 -3.878 1.00 63.32 C ATOM 0 H TRP A 20 -1.068 10.336 -4.974 1.00 23.42 H new ATOM 0 HA TRP A 20 -3.575 10.734 -3.787 1.00 12.42 H new ATOM 0 HB2 TRP A 20 -3.111 9.267 -5.728 1.00 61.33 H new ATOM 0 HB3 TRP A 20 -2.165 8.194 -4.716 1.00 61.33 H new ATOM 0 HD1 TRP A 20 -5.803 9.594 -4.271 1.00 41.35 H new ATOM 0 HE1 TRP A 20 -7.389 7.610 -3.784 1.00 33.43 H new ATOM 0 HE3 TRP A 20 -2.376 5.809 -4.562 1.00 24.05 H new ATOM 0 HZ2 TRP A 20 -7.162 4.811 -3.582 1.00 71.52 H new ATOM 0 HZ3 TRP A 20 -3.141 3.493 -4.211 1.00 73.04 H new ATOM 0 HH2 TRP A 20 -5.503 3.006 -3.730 1.00 63.32 H new ATOM 316 N LEU A 21 -1.499 8.970 -1.926 1.00 35.23 N ATOM 317 CA LEU A 21 -1.278 8.484 -0.558 1.00 54.41 C ATOM 318 C LEU A 21 -1.258 9.643 0.453 1.00 72.20 C ATOM 319 O LEU A 21 -1.734 9.508 1.586 1.00 3.22 O ATOM 320 CB LEU A 21 0.038 7.696 -0.477 1.00 52.22 C ATOM 321 CG LEU A 21 0.117 6.445 -1.371 1.00 74.14 C ATOM 322 CD1 LEU A 21 1.463 5.750 -1.208 1.00 53.44 C ATOM 323 CD2 LEU A 21 -1.029 5.481 -1.065 1.00 4.41 C ATOM 0 H LEU A 21 -0.696 8.863 -2.546 1.00 35.23 H new ATOM 0 HA LEU A 21 -2.108 7.825 -0.302 1.00 54.41 H new ATOM 0 HB2 LEU A 21 0.858 8.363 -0.743 1.00 52.22 H new ATOM 0 HB3 LEU A 21 0.196 7.392 0.558 1.00 52.22 H new ATOM 0 HG LEU A 21 0.021 6.766 -2.408 1.00 74.14 H new ATOM 0 HD11 LEU A 21 1.497 4.869 -1.849 1.00 53.44 H new ATOM 0 HD12 LEU A 21 2.263 6.435 -1.490 1.00 53.44 H new ATOM 0 HD13 LEU A 21 1.593 5.448 -0.169 1.00 53.44 H new ATOM 0 HD21 LEU A 21 -0.950 4.606 -1.710 1.00 4.41 H new ATOM 0 HD22 LEU A 21 -0.974 5.169 -0.022 1.00 4.41 H new ATOM 0 HD23 LEU A 21 -1.982 5.979 -1.245 1.00 4.41 H new ATOM 335 N ILE A 22 -0.714 10.784 0.036 1.00 71.43 N ATOM 336 CA ILE A 22 -0.623 11.958 0.910 1.00 73.11 C ATOM 337 C ILE A 22 -2.010 12.583 1.165 1.00 41.32 C ATOM 338 O ILE A 22 -2.353 12.895 2.308 1.00 21.22 O ATOM 339 CB ILE A 22 0.335 13.030 0.324 1.00 3.20 C ATOM 340 CG1 ILE A 22 1.711 12.408 0.031 1.00 70.41 C ATOM 341 CG2 ILE A 22 0.480 14.220 1.282 1.00 30.20 C ATOM 342 CD1 ILE A 22 2.698 13.370 -0.598 1.00 42.41 C ATOM 0 H ILE A 22 -0.330 10.924 -0.898 1.00 71.43 H new ATOM 0 HA ILE A 22 -0.218 11.611 1.861 1.00 73.11 H new ATOM 0 HB ILE A 22 -0.093 13.397 -0.609 1.00 3.20 H new ATOM 0 HG12 ILE A 22 2.132 12.027 0.961 1.00 70.41 H new ATOM 0 HG13 ILE A 22 1.579 11.553 -0.632 1.00 70.41 H new ATOM 0 HG21 ILE A 22 1.156 14.956 0.848 1.00 30.20 H new ATOM 0 HG22 ILE A 22 -0.496 14.676 1.446 1.00 30.20 H new ATOM 0 HG23 ILE A 22 0.883 13.874 2.234 1.00 30.20 H new ATOM 0 HD11 ILE A 22 3.644 12.858 -0.774 1.00 42.41 H new ATOM 0 HD12 ILE A 22 2.300 13.732 -1.546 1.00 42.41 H new ATOM 0 HD13 ILE A 22 2.862 14.213 0.073 1.00 42.41 H new ATOM 354 N THR A 23 -2.813 12.751 0.107 1.00 63.20 N ATOM 355 CA THR A 23 -4.160 13.346 0.245 1.00 2.31 C ATOM 356 C THR A 23 -5.088 12.481 1.112 1.00 13.53 C ATOM 357 O THR A 23 -5.835 13.004 1.941 1.00 70.01 O ATOM 358 CB THR A 23 -4.844 13.606 -1.123 1.00 54.25 C ATOM 359 OG1 THR A 23 -6.184 14.082 -0.923 1.00 51.22 O ATOM 360 CG2 THR A 23 -4.882 12.351 -1.987 1.00 41.54 C ATOM 0 H THR A 23 -2.563 12.489 -0.846 1.00 63.20 H new ATOM 0 HA THR A 23 -3.999 14.304 0.739 1.00 2.31 H new ATOM 0 HB THR A 23 -4.253 14.360 -1.642 1.00 54.25 H new ATOM 0 HG1 THR A 23 -6.607 14.245 -1.792 1.00 51.22 H new ATOM 0 HG21 THR A 23 -5.369 12.577 -2.936 1.00 41.54 H new ATOM 0 HG22 THR A 23 -3.865 12.007 -2.174 1.00 41.54 H new ATOM 0 HG23 THR A 23 -5.440 11.570 -1.470 1.00 41.54 H new ATOM 368 N LEU A 24 -5.032 11.158 0.932 1.00 73.03 N ATOM 369 CA LEU A 24 -5.821 10.232 1.761 1.00 32.15 C ATOM 370 C LEU A 24 -5.307 10.187 3.215 1.00 31.21 C ATOM 371 O LEU A 24 -5.875 9.495 4.060 1.00 14.34 O ATOM 372 CB LEU A 24 -5.813 8.816 1.155 1.00 13.04 C ATOM 373 CG LEU A 24 -6.704 8.612 -0.087 1.00 11.34 C ATOM 374 CD1 LEU A 24 -6.632 7.166 -0.574 1.00 11.24 C ATOM 375 CD2 LEU A 24 -8.147 8.999 0.228 1.00 60.31 C ATOM 0 H LEU A 24 -4.454 10.703 0.226 1.00 73.03 H new ATOM 0 HA LEU A 24 -6.845 10.606 1.778 1.00 32.15 H new ATOM 0 HB2 LEU A 24 -4.787 8.561 0.889 1.00 13.04 H new ATOM 0 HB3 LEU A 24 -6.127 8.110 1.924 1.00 13.04 H new ATOM 0 HG LEU A 24 -6.336 9.257 -0.884 1.00 11.34 H new ATOM 0 HD11 LEU A 24 -7.268 7.045 -1.451 1.00 11.24 H new ATOM 0 HD12 LEU A 24 -5.603 6.921 -0.836 1.00 11.24 H new ATOM 0 HD13 LEU A 24 -6.974 6.498 0.217 1.00 11.24 H new ATOM 0 HD21 LEU A 24 -8.765 8.850 -0.657 1.00 60.31 H new ATOM 0 HD22 LEU A 24 -8.521 8.377 1.041 1.00 60.31 H new ATOM 0 HD23 LEU A 24 -8.186 10.047 0.526 1.00 60.31 H new ATOM 387 N GLY A 25 -4.225 10.917 3.490 1.00 33.51 N ATOM 388 CA GLY A 25 -3.687 10.999 4.845 1.00 63.21 C ATOM 389 C GLY A 25 -3.070 9.694 5.338 1.00 23.32 C ATOM 390 O GLY A 25 -2.838 9.521 6.535 1.00 13.13 O ATOM 0 H GLY A 25 -3.708 11.456 2.796 1.00 33.51 H new ATOM 0 HA2 GLY A 25 -2.932 11.784 4.880 1.00 63.21 H new ATOM 0 HA3 GLY A 25 -4.485 11.294 5.526 1.00 63.21 H new ATOM 394 N VAL A 26 -2.801 8.773 4.414 1.00 11.25 N ATOM 395 CA VAL A 26 -2.229 7.471 4.769 1.00 52.22 C ATOM 396 C VAL A 26 -0.696 7.532 4.809 1.00 23.21 C ATOM 397 O VAL A 26 -0.046 6.720 5.470 1.00 34.15 O ATOM 398 CB VAL A 26 -2.685 6.371 3.776 1.00 63.54 C ATOM 399 CG1 VAL A 26 -4.201 6.400 3.618 1.00 54.00 C ATOM 400 CG2 VAL A 26 -1.995 6.518 2.420 1.00 43.44 C ATOM 0 H VAL A 26 -2.969 8.902 3.416 1.00 11.25 H new ATOM 0 HA VAL A 26 -2.594 7.217 5.764 1.00 52.22 H new ATOM 0 HB VAL A 26 -2.393 5.404 4.187 1.00 63.54 H new ATOM 0 HG11 VAL A 26 -4.509 5.623 2.918 1.00 54.00 H new ATOM 0 HG12 VAL A 26 -4.671 6.224 4.586 1.00 54.00 H new ATOM 0 HG13 VAL A 26 -4.509 7.374 3.237 1.00 54.00 H new ATOM 0 HG21 VAL A 26 -2.339 5.730 1.750 1.00 43.44 H new ATOM 0 HG22 VAL A 26 -2.238 7.491 1.992 1.00 43.44 H new ATOM 0 HG23 VAL A 26 -0.916 6.438 2.550 1.00 43.44 H new ATOM 410 N LEU A 27 -0.132 8.504 4.097 1.00 45.33 N ATOM 411 CA LEU A 27 1.316 8.716 4.067 1.00 42.14 C ATOM 412 C LEU A 27 1.645 10.206 4.248 1.00 41.12 C ATOM 413 O LEU A 27 1.055 11.065 3.590 1.00 72.54 O ATOM 414 CB LEU A 27 1.892 8.205 2.738 1.00 32.20 C ATOM 415 CG LEU A 27 3.418 8.346 2.578 1.00 60.24 C ATOM 416 CD1 LEU A 27 4.154 7.536 3.645 1.00 61.31 C ATOM 417 CD2 LEU A 27 3.851 7.924 1.174 1.00 34.14 C ATOM 0 H LEU A 27 -0.660 9.164 3.527 1.00 45.33 H new ATOM 0 HA LEU A 27 1.768 8.160 4.888 1.00 42.14 H new ATOM 0 HB2 LEU A 27 1.629 7.153 2.629 1.00 32.20 H new ATOM 0 HB3 LEU A 27 1.408 8.741 1.922 1.00 32.20 H new ATOM 0 HG LEU A 27 3.682 9.395 2.714 1.00 60.24 H new ATOM 0 HD11 LEU A 27 5.230 7.651 3.512 1.00 61.31 H new ATOM 0 HD12 LEU A 27 3.871 7.895 4.634 1.00 61.31 H new ATOM 0 HD13 LEU A 27 3.887 6.483 3.551 1.00 61.31 H new ATOM 0 HD21 LEU A 27 4.932 8.030 1.079 1.00 34.14 H new ATOM 0 HD22 LEU A 27 3.572 6.884 1.005 1.00 34.14 H new ATOM 0 HD23 LEU A 27 3.358 8.557 0.436 1.00 34.14 H new ATOM 429 N GLU A 28 2.570 10.505 5.154 1.00 22.44 N ATOM 430 CA GLU A 28 3.016 11.885 5.379 1.00 51.40 C ATOM 431 C GLU A 28 3.803 12.425 4.170 1.00 21.15 C ATOM 432 O GLU A 28 4.273 11.660 3.327 1.00 60.30 O ATOM 433 CB GLU A 28 3.885 11.961 6.646 1.00 63.20 C ATOM 434 CG GLU A 28 5.139 11.092 6.586 1.00 72.45 C ATOM 435 CD GLU A 28 5.984 11.178 7.849 1.00 4.53 C ATOM 436 OE1 GLU A 28 5.677 10.461 8.830 1.00 52.12 O ATOM 437 OE2 GLU A 28 6.964 11.949 7.865 1.00 14.10 O ATOM 0 H GLU A 28 3.029 9.813 5.747 1.00 22.44 H new ATOM 0 HA GLU A 28 2.130 12.505 5.511 1.00 51.40 H new ATOM 0 HB2 GLU A 28 4.180 12.997 6.811 1.00 63.20 H new ATOM 0 HB3 GLU A 28 3.286 11.659 7.505 1.00 63.20 H new ATOM 0 HG2 GLU A 28 4.848 10.055 6.420 1.00 72.45 H new ATOM 0 HG3 GLU A 28 5.743 11.394 5.730 1.00 72.45 H new ATOM 444 N SER A 29 3.940 13.746 4.094 1.00 14.32 N ATOM 445 CA SER A 29 4.710 14.383 3.016 1.00 2.32 C ATOM 446 C SER A 29 6.195 13.984 3.089 1.00 11.22 C ATOM 447 O SER A 29 6.756 13.864 4.180 1.00 33.01 O ATOM 448 CB SER A 29 4.564 15.912 3.090 1.00 14.32 C ATOM 449 OG SER A 29 5.358 16.567 2.108 1.00 44.12 O ATOM 0 H SER A 29 3.531 14.400 4.762 1.00 14.32 H new ATOM 0 HA SER A 29 4.312 14.036 2.062 1.00 2.32 H new ATOM 0 HB2 SER A 29 3.518 16.184 2.952 1.00 14.32 H new ATOM 0 HB3 SER A 29 4.855 16.257 4.082 1.00 14.32 H new ATOM 0 HG SER A 29 5.238 17.537 2.184 1.00 44.12 H new ATOM 455 N PRO A 30 6.851 13.769 1.931 1.00 52.15 N ATOM 456 CA PRO A 30 8.261 13.327 1.880 1.00 24.43 C ATOM 457 C PRO A 30 9.256 14.316 2.518 1.00 12.24 C ATOM 458 O PRO A 30 8.875 15.329 3.113 1.00 34.33 O ATOM 459 CB PRO A 30 8.539 13.200 0.372 1.00 65.23 C ATOM 460 CG PRO A 30 7.492 14.034 -0.288 1.00 51.23 C ATOM 461 CD PRO A 30 6.275 13.920 0.582 1.00 71.34 C ATOM 0 HA PRO A 30 8.397 12.408 2.450 1.00 24.43 H new ATOM 0 HB2 PRO A 30 9.540 13.555 0.124 1.00 65.23 H new ATOM 0 HB3 PRO A 30 8.479 12.162 0.046 1.00 65.23 H new ATOM 0 HG2 PRO A 30 7.815 15.071 -0.375 1.00 51.23 H new ATOM 0 HG3 PRO A 30 7.287 13.678 -1.298 1.00 51.23 H new ATOM 0 HD2 PRO A 30 5.642 14.804 0.509 1.00 71.34 H new ATOM 0 HD3 PRO A 30 5.660 13.063 0.307 1.00 71.34 H new ATOM 469 N LYS A 31 10.545 14.008 2.373 1.00 34.10 N ATOM 470 CA LYS A 31 11.616 14.872 2.878 1.00 74.32 C ATOM 471 C LYS A 31 11.729 16.133 2.008 1.00 33.53 C ATOM 472 O LYS A 31 11.684 17.261 2.507 1.00 41.12 O ATOM 473 CB LYS A 31 12.962 14.117 2.892 1.00 72.34 C ATOM 474 CG LYS A 31 13.028 12.940 3.873 1.00 41.42 C ATOM 475 CD LYS A 31 12.137 11.765 3.462 1.00 1.32 C ATOM 476 CE LYS A 31 12.584 11.122 2.149 1.00 40.42 C ATOM 477 NZ LYS A 31 13.910 10.452 2.266 1.00 52.11 N ATOM 0 H LYS A 31 10.875 13.163 1.908 1.00 34.10 H new ATOM 0 HA LYS A 31 11.372 15.164 3.900 1.00 74.32 H new ATOM 0 HB2 LYS A 31 13.165 13.746 1.887 1.00 72.34 H new ATOM 0 HB3 LYS A 31 13.756 14.822 3.138 1.00 72.34 H new ATOM 0 HG2 LYS A 31 14.060 12.596 3.950 1.00 41.42 H new ATOM 0 HG3 LYS A 31 12.732 13.284 4.864 1.00 41.42 H new ATOM 0 HD2 LYS A 31 12.145 11.014 4.252 1.00 1.32 H new ATOM 0 HD3 LYS A 31 11.108 12.111 3.362 1.00 1.32 H new ATOM 0 HE2 LYS A 31 11.838 10.393 1.833 1.00 40.42 H new ATOM 0 HE3 LYS A 31 12.633 11.885 1.372 1.00 40.42 H new ATOM 0 HZ1 LYS A 31 14.115 9.932 1.389 1.00 52.11 H new ATOM 0 HZ2 LYS A 31 14.648 11.168 2.425 1.00 52.11 H new ATOM 0 HZ3 LYS A 31 13.894 9.788 3.066 1.00 52.11 H new ATOM 491 N LYS A 32 11.882 15.910 0.706 1.00 0.30 N ATOM 492 CA LYS A 32 11.908 16.977 -0.302 1.00 33.24 C ATOM 493 C LYS A 32 11.308 16.468 -1.627 1.00 61.22 C ATOM 494 O LYS A 32 10.615 15.445 -1.653 1.00 12.24 O ATOM 495 CB LYS A 32 13.350 17.473 -0.530 1.00 65.24 C ATOM 496 CG LYS A 32 13.891 18.379 0.571 1.00 23.01 C ATOM 497 CD LYS A 32 13.094 19.679 0.678 1.00 2.30 C ATOM 498 CE LYS A 32 13.789 20.697 1.577 1.00 33.12 C ATOM 499 NZ LYS A 32 15.079 21.162 0.995 1.00 41.15 N ATOM 0 H LYS A 32 11.993 14.976 0.312 1.00 0.30 H new ATOM 0 HA LYS A 32 11.309 17.811 0.062 1.00 33.24 H new ATOM 0 HB2 LYS A 32 14.007 16.608 -0.626 1.00 65.24 H new ATOM 0 HB3 LYS A 32 13.390 18.011 -1.477 1.00 65.24 H new ATOM 0 HG2 LYS A 32 13.857 17.852 1.525 1.00 23.01 H new ATOM 0 HG3 LYS A 32 14.937 18.609 0.371 1.00 23.01 H new ATOM 0 HD2 LYS A 32 12.958 20.105 -0.316 1.00 2.30 H new ATOM 0 HD3 LYS A 32 12.100 19.465 1.072 1.00 2.30 H new ATOM 0 HE2 LYS A 32 13.132 21.552 1.733 1.00 33.12 H new ATOM 0 HE3 LYS A 32 13.971 20.253 2.555 1.00 33.12 H new ATOM 0 HZ1 LYS A 32 15.368 22.049 1.455 1.00 41.15 H new ATOM 0 HZ2 LYS A 32 15.810 20.438 1.148 1.00 41.15 H new ATOM 0 HZ3 LYS A 32 14.961 21.324 -0.025 1.00 41.15 H new ATOM 513 N THR A 33 11.567 17.184 -2.722 1.00 44.35 N ATOM 514 CA THR A 33 11.124 16.751 -4.055 1.00 40.34 C ATOM 515 C THR A 33 11.686 15.361 -4.397 1.00 1.23 C ATOM 516 O THR A 33 12.865 15.083 -4.171 1.00 64.11 O ATOM 517 CB THR A 33 11.542 17.769 -5.143 1.00 3.12 C ATOM 518 OG1 THR A 33 10.996 19.061 -4.827 1.00 20.43 O ATOM 519 CG2 THR A 33 11.059 17.335 -6.528 1.00 14.12 C ATOM 0 H THR A 33 12.080 18.065 -2.716 1.00 44.35 H new ATOM 0 HA THR A 33 10.036 16.695 -4.033 1.00 40.34 H new ATOM 0 HB THR A 33 12.631 17.817 -5.163 1.00 3.12 H new ATOM 0 HG1 THR A 33 11.262 19.706 -5.515 1.00 20.43 H new ATOM 0 HG21 THR A 33 11.369 18.072 -7.269 1.00 14.12 H new ATOM 0 HG22 THR A 33 11.491 16.366 -6.777 1.00 14.12 H new ATOM 0 HG23 THR A 33 9.972 17.258 -6.526 1.00 14.12 H new ATOM 527 N ILE A 34 10.833 14.492 -4.933 1.00 45.13 N ATOM 528 CA ILE A 34 11.190 13.086 -5.157 1.00 51.21 C ATOM 529 C ILE A 34 11.694 12.836 -6.587 1.00 62.14 C ATOM 530 O ILE A 34 10.967 13.040 -7.562 1.00 52.12 O ATOM 531 CB ILE A 34 9.977 12.161 -4.879 1.00 73.21 C ATOM 532 CG1 ILE A 34 9.405 12.441 -3.476 1.00 34.03 C ATOM 533 CG2 ILE A 34 10.380 10.690 -5.018 1.00 64.42 C ATOM 534 CD1 ILE A 34 8.166 11.632 -3.150 1.00 20.01 C ATOM 0 H ILE A 34 9.885 14.734 -5.223 1.00 45.13 H new ATOM 0 HA ILE A 34 11.998 12.856 -4.463 1.00 51.21 H new ATOM 0 HB ILE A 34 9.202 12.371 -5.616 1.00 73.21 H new ATOM 0 HG12 ILE A 34 10.173 12.229 -2.732 1.00 34.03 H new ATOM 0 HG13 ILE A 34 9.167 13.502 -3.396 1.00 34.03 H new ATOM 0 HG21 ILE A 34 9.516 10.056 -4.819 1.00 64.42 H new ATOM 0 HG22 ILE A 34 10.741 10.506 -6.030 1.00 64.42 H new ATOM 0 HG23 ILE A 34 11.171 10.460 -4.304 1.00 64.42 H new ATOM 0 HD11 ILE A 34 7.821 11.883 -2.147 1.00 20.01 H new ATOM 0 HD12 ILE A 34 7.382 11.861 -3.871 1.00 20.01 H new ATOM 0 HD13 ILE A 34 8.403 10.569 -3.197 1.00 20.01 H new ATOM 546 N SER A 35 12.942 12.389 -6.700 1.00 44.15 N ATOM 547 CA SER A 35 13.522 12.014 -7.997 1.00 4.43 C ATOM 548 C SER A 35 13.048 10.622 -8.429 1.00 5.44 C ATOM 549 O SER A 35 12.700 10.404 -9.590 1.00 61.11 O ATOM 550 CB SER A 35 15.056 12.036 -7.935 1.00 25.33 C ATOM 551 OG SER A 35 15.547 11.190 -6.902 1.00 73.45 O ATOM 0 H SER A 35 13.577 12.276 -5.910 1.00 44.15 H new ATOM 0 HA SER A 35 13.184 12.745 -8.731 1.00 4.43 H new ATOM 0 HB2 SER A 35 15.465 11.717 -8.894 1.00 25.33 H new ATOM 0 HB3 SER A 35 15.400 13.056 -7.766 1.00 25.33 H new ATOM 0 HG SER A 35 16.526 11.224 -6.889 1.00 73.45 H new ATOM 557 N ASP A 36 13.046 9.680 -7.486 1.00 54.54 N ATOM 558 CA ASP A 36 12.591 8.308 -7.741 1.00 65.12 C ATOM 559 C ASP A 36 11.219 8.033 -7.084 1.00 12.43 C ATOM 560 O ASP A 36 11.140 7.564 -5.946 1.00 14.03 O ATOM 561 CB ASP A 36 13.647 7.314 -7.234 1.00 45.41 C ATOM 562 CG ASP A 36 13.955 7.498 -5.754 1.00 40.31 C ATOM 563 OD1 ASP A 36 14.479 8.570 -5.377 1.00 13.23 O ATOM 564 OD2 ASP A 36 13.654 6.588 -4.957 1.00 73.44 O ATOM 0 H ASP A 36 13.357 9.842 -6.528 1.00 54.54 H new ATOM 0 HA ASP A 36 12.464 8.181 -8.816 1.00 65.12 H new ATOM 0 HB2 ASP A 36 13.296 6.296 -7.405 1.00 45.41 H new ATOM 0 HB3 ASP A 36 14.564 7.436 -7.811 1.00 45.41 H new ATOM 569 N PRO A 37 10.106 8.324 -7.787 1.00 63.44 N ATOM 570 CA PRO A 37 8.756 8.142 -7.227 1.00 21.54 C ATOM 571 C PRO A 37 8.433 6.670 -6.932 1.00 44.34 C ATOM 572 O PRO A 37 7.772 6.357 -5.945 1.00 4.23 O ATOM 573 CB PRO A 37 7.833 8.698 -8.324 1.00 13.53 C ATOM 574 CG PRO A 37 8.636 8.610 -9.578 1.00 1.34 C ATOM 575 CD PRO A 37 10.066 8.847 -9.167 1.00 53.41 C ATOM 0 HA PRO A 37 8.643 8.646 -6.267 1.00 21.54 H new ATOM 0 HB2 PRO A 37 6.915 8.116 -8.401 1.00 13.53 H new ATOM 0 HB3 PRO A 37 7.542 9.727 -8.112 1.00 13.53 H new ATOM 0 HG2 PRO A 37 8.521 7.633 -10.048 1.00 1.34 H new ATOM 0 HG3 PRO A 37 8.309 9.354 -10.305 1.00 1.34 H new ATOM 0 HD2 PRO A 37 10.765 8.322 -9.818 1.00 53.41 H new ATOM 0 HD3 PRO A 37 10.327 9.905 -9.206 1.00 53.41 H new ATOM 583 N GLU A 38 8.912 5.775 -7.794 1.00 71.23 N ATOM 584 CA GLU A 38 8.674 4.337 -7.632 1.00 51.23 C ATOM 585 C GLU A 38 9.519 3.746 -6.489 1.00 43.24 C ATOM 586 O GLU A 38 9.061 2.873 -5.751 1.00 31.31 O ATOM 587 CB GLU A 38 8.951 3.606 -8.957 1.00 3.42 C ATOM 588 CG GLU A 38 7.959 3.981 -10.062 1.00 55.22 C ATOM 589 CD GLU A 38 8.176 3.235 -11.371 1.00 71.20 C ATOM 590 OE1 GLU A 38 8.238 1.991 -11.348 1.00 25.21 O ATOM 591 OE2 GLU A 38 8.248 3.893 -12.433 1.00 14.22 O ATOM 0 H GLU A 38 9.468 6.018 -8.614 1.00 71.23 H new ATOM 0 HA GLU A 38 7.627 4.194 -7.363 1.00 51.23 H new ATOM 0 HB2 GLU A 38 9.963 3.838 -9.290 1.00 3.42 H new ATOM 0 HB3 GLU A 38 8.910 2.530 -8.788 1.00 3.42 H new ATOM 0 HG2 GLU A 38 6.947 3.786 -9.708 1.00 55.22 H new ATOM 0 HG3 GLU A 38 8.030 5.052 -10.251 1.00 55.22 H new ATOM 598 N GLY A 39 10.749 4.240 -6.335 1.00 13.21 N ATOM 599 CA GLY A 39 11.606 3.789 -5.242 1.00 14.21 C ATOM 600 C GLY A 39 11.104 4.249 -3.875 1.00 40.12 C ATOM 601 O GLY A 39 11.015 3.455 -2.930 1.00 11.11 O ATOM 0 H GLY A 39 11.168 4.942 -6.945 1.00 13.21 H new ATOM 0 HA2 GLY A 39 11.664 2.701 -5.256 1.00 14.21 H new ATOM 0 HA3 GLY A 39 12.617 4.165 -5.399 1.00 14.21 H new ATOM 605 N PHE A 40 10.774 5.537 -3.774 1.00 22.41 N ATOM 606 CA PHE A 40 10.222 6.116 -2.541 1.00 22.25 C ATOM 607 C PHE A 40 9.017 5.313 -2.014 1.00 10.23 C ATOM 608 O PHE A 40 8.961 4.960 -0.833 1.00 41.10 O ATOM 609 CB PHE A 40 9.810 7.575 -2.798 1.00 24.12 C ATOM 610 CG PHE A 40 9.150 8.244 -1.616 1.00 51.45 C ATOM 611 CD1 PHE A 40 9.914 8.764 -0.579 1.00 44.22 C ATOM 612 CD2 PHE A 40 7.767 8.352 -1.542 1.00 61.30 C ATOM 613 CE1 PHE A 40 9.312 9.374 0.505 1.00 31.34 C ATOM 614 CE2 PHE A 40 7.162 8.961 -0.461 1.00 3.13 C ATOM 615 CZ PHE A 40 7.934 9.473 0.563 1.00 64.05 C ATOM 0 H PHE A 40 10.879 6.207 -4.536 1.00 22.41 H new ATOM 0 HA PHE A 40 10.998 6.077 -1.777 1.00 22.25 H new ATOM 0 HB2 PHE A 40 10.694 8.147 -3.079 1.00 24.12 H new ATOM 0 HB3 PHE A 40 9.127 7.605 -3.647 1.00 24.12 H new ATOM 0 HD1 PHE A 40 10.991 8.691 -0.620 1.00 44.22 H new ATOM 0 HD2 PHE A 40 7.158 7.955 -2.340 1.00 61.30 H new ATOM 0 HE1 PHE A 40 9.917 9.773 1.306 1.00 31.34 H new ATOM 0 HE2 PHE A 40 6.086 9.037 -0.416 1.00 3.13 H new ATOM 0 HZ PHE A 40 7.462 9.951 1.409 1.00 64.05 H new ATOM 625 N LEU A 41 8.058 5.028 -2.898 1.00 43.14 N ATOM 626 CA LEU A 41 6.847 4.287 -2.516 1.00 54.11 C ATOM 627 C LEU A 41 7.180 2.910 -1.921 1.00 71.20 C ATOM 628 O LEU A 41 6.570 2.489 -0.944 1.00 31.43 O ATOM 629 CB LEU A 41 5.914 4.126 -3.724 1.00 61.33 C ATOM 630 CG LEU A 41 5.295 5.429 -4.254 1.00 43.22 C ATOM 631 CD1 LEU A 41 4.418 5.157 -5.475 1.00 13.22 C ATOM 632 CD2 LEU A 41 4.495 6.125 -3.157 1.00 61.43 C ATOM 0 H LEU A 41 8.093 5.297 -3.881 1.00 43.14 H new ATOM 0 HA LEU A 41 6.341 4.868 -1.745 1.00 54.11 H new ATOM 0 HB2 LEU A 41 6.472 3.653 -4.532 1.00 61.33 H new ATOM 0 HB3 LEU A 41 5.108 3.445 -3.451 1.00 61.33 H new ATOM 0 HG LEU A 41 6.104 6.092 -4.562 1.00 43.22 H new ATOM 0 HD11 LEU A 41 3.991 6.094 -5.832 1.00 13.22 H new ATOM 0 HD12 LEU A 41 5.022 4.709 -6.264 1.00 13.22 H new ATOM 0 HD13 LEU A 41 3.615 4.473 -5.201 1.00 13.22 H new ATOM 0 HD21 LEU A 41 4.064 7.046 -3.550 1.00 61.43 H new ATOM 0 HD22 LEU A 41 3.696 5.467 -2.816 1.00 61.43 H new ATOM 0 HD23 LEU A 41 5.153 6.360 -2.320 1.00 61.43 H new ATOM 644 N GLN A 42 8.153 2.214 -2.504 1.00 1.01 N ATOM 645 CA GLN A 42 8.568 0.903 -1.988 1.00 31.50 C ATOM 646 C GLN A 42 9.103 1.022 -0.551 1.00 73.54 C ATOM 647 O GLN A 42 8.756 0.224 0.321 1.00 1.14 O ATOM 648 CB GLN A 42 9.623 0.273 -2.918 1.00 53.13 C ATOM 649 CG GLN A 42 10.061 -1.138 -2.517 1.00 31.45 C ATOM 650 CD GLN A 42 11.163 -1.162 -1.462 1.00 13.21 C ATOM 651 OE1 GLN A 42 12.017 -0.284 -1.416 1.00 62.11 O ATOM 652 NE2 GLN A 42 11.149 -2.163 -0.605 1.00 75.45 N ATOM 0 H GLN A 42 8.668 2.528 -3.327 1.00 1.01 H new ATOM 0 HA GLN A 42 7.696 0.250 -1.964 1.00 31.50 H new ATOM 0 HB2 GLN A 42 9.223 0.241 -3.931 1.00 53.13 H new ATOM 0 HB3 GLN A 42 10.500 0.919 -2.942 1.00 53.13 H new ATOM 0 HG2 GLN A 42 9.196 -1.683 -2.139 1.00 31.45 H new ATOM 0 HG3 GLN A 42 10.408 -1.667 -3.404 1.00 31.45 H new ATOM 0 HE21 GLN A 42 10.425 -2.879 -0.669 1.00 75.45 H new ATOM 0 HE22 GLN A 42 11.862 -2.222 0.122 1.00 75.45 H new ATOM 661 N ALA A 43 9.933 2.034 -0.312 1.00 12.25 N ATOM 662 CA ALA A 43 10.523 2.261 1.014 1.00 61.24 C ATOM 663 C ALA A 43 9.457 2.585 2.080 1.00 45.31 C ATOM 664 O ALA A 43 9.556 2.138 3.228 1.00 43.11 O ATOM 665 CB ALA A 43 11.555 3.382 0.939 1.00 32.44 C ATOM 0 H ALA A 43 10.216 2.714 -1.018 1.00 12.25 H new ATOM 0 HA ALA A 43 11.011 1.335 1.319 1.00 61.24 H new ATOM 0 HB1 ALA A 43 11.988 3.545 1.926 1.00 32.44 H new ATOM 0 HB2 ALA A 43 12.343 3.105 0.238 1.00 32.44 H new ATOM 0 HB3 ALA A 43 11.073 4.298 0.599 1.00 32.44 H new ATOM 671 N SER A 44 8.441 3.358 1.693 1.00 63.05 N ATOM 672 CA SER A 44 7.378 3.784 2.623 1.00 14.35 C ATOM 673 C SER A 44 6.317 2.690 2.831 1.00 42.51 C ATOM 674 O SER A 44 5.980 2.344 3.965 1.00 13.33 O ATOM 675 CB SER A 44 6.704 5.062 2.105 1.00 31.52 C ATOM 676 OG SER A 44 6.125 4.861 0.825 1.00 52.45 O ATOM 0 H SER A 44 8.326 3.706 0.741 1.00 63.05 H new ATOM 0 HA SER A 44 7.850 3.978 3.586 1.00 14.35 H new ATOM 0 HB2 SER A 44 5.934 5.380 2.808 1.00 31.52 H new ATOM 0 HB3 SER A 44 7.438 5.866 2.052 1.00 31.52 H new ATOM 0 HG SER A 44 5.703 5.692 0.523 1.00 52.45 H new ATOM 682 N LEU A 45 5.792 2.144 1.734 1.00 72.32 N ATOM 683 CA LEU A 45 4.772 1.083 1.799 1.00 60.43 C ATOM 684 C LEU A 45 5.340 -0.220 2.386 1.00 74.41 C ATOM 685 O LEU A 45 4.588 -1.103 2.799 1.00 42.52 O ATOM 686 CB LEU A 45 4.206 0.815 0.399 1.00 50.41 C ATOM 687 CG LEU A 45 3.557 2.026 -0.294 1.00 31.42 C ATOM 688 CD1 LEU A 45 3.135 1.671 -1.716 1.00 60.42 C ATOM 689 CD2 LEU A 45 2.367 2.540 0.514 1.00 45.10 C ATOM 0 H LEU A 45 6.053 2.415 0.786 1.00 72.32 H new ATOM 0 HA LEU A 45 3.977 1.429 2.459 1.00 60.43 H new ATOM 0 HB2 LEU A 45 5.011 0.444 -0.235 1.00 50.41 H new ATOM 0 HB3 LEU A 45 3.465 0.019 0.472 1.00 50.41 H new ATOM 0 HG LEU A 45 4.297 2.824 -0.349 1.00 31.42 H new ATOM 0 HD11 LEU A 45 2.678 2.541 -2.188 1.00 60.42 H new ATOM 0 HD12 LEU A 45 4.010 1.364 -2.289 1.00 60.42 H new ATOM 0 HD13 LEU A 45 2.415 0.853 -1.688 1.00 60.42 H new ATOM 0 HD21 LEU A 45 1.924 3.396 0.005 1.00 45.10 H new ATOM 0 HD22 LEU A 45 1.623 1.749 0.609 1.00 45.10 H new ATOM 0 HD23 LEU A 45 2.704 2.842 1.506 1.00 45.10 H new ATOM 701 N LYS A 46 6.668 -0.311 2.424 1.00 31.43 N ATOM 702 CA LYS A 46 7.386 -1.469 2.975 1.00 22.22 C ATOM 703 C LYS A 46 6.781 -1.969 4.303 1.00 25.35 C ATOM 704 O LYS A 46 6.480 -3.154 4.454 1.00 54.31 O ATOM 705 CB LYS A 46 8.851 -1.080 3.204 1.00 42.20 C ATOM 706 CG LYS A 46 9.732 -2.215 3.710 1.00 11.53 C ATOM 707 CD LYS A 46 11.092 -1.720 4.208 1.00 33.21 C ATOM 708 CE LYS A 46 10.992 -0.977 5.544 1.00 34.23 C ATOM 709 NZ LYS A 46 10.367 0.370 5.417 1.00 21.54 N ATOM 0 H LYS A 46 7.285 0.421 2.071 1.00 31.43 H new ATOM 0 HA LYS A 46 7.301 -2.283 2.255 1.00 22.22 H new ATOM 0 HB2 LYS A 46 9.265 -0.705 2.268 1.00 42.20 H new ATOM 0 HB3 LYS A 46 8.889 -0.260 3.921 1.00 42.20 H new ATOM 0 HG2 LYS A 46 9.220 -2.736 4.519 1.00 11.53 H new ATOM 0 HG3 LYS A 46 9.883 -2.939 2.909 1.00 11.53 H new ATOM 0 HD2 LYS A 46 11.766 -2.569 4.318 1.00 33.21 H new ATOM 0 HD3 LYS A 46 11.531 -1.059 3.460 1.00 33.21 H new ATOM 0 HE2 LYS A 46 10.410 -1.577 6.244 1.00 34.23 H new ATOM 0 HE3 LYS A 46 11.990 -0.870 5.969 1.00 34.23 H new ATOM 0 HZ1 LYS A 46 10.911 1.059 5.974 1.00 21.54 H new ATOM 0 HZ2 LYS A 46 10.364 0.658 4.418 1.00 21.54 H new ATOM 0 HZ3 LYS A 46 9.389 0.334 5.770 1.00 21.54 H new ATOM 723 N ASP A 47 6.603 -1.048 5.254 1.00 54.35 N ATOM 724 CA ASP A 47 6.121 -1.387 6.604 1.00 20.44 C ATOM 725 C ASP A 47 4.698 -1.978 6.603 1.00 52.12 C ATOM 726 O ASP A 47 4.255 -2.557 7.600 1.00 24.23 O ATOM 727 CB ASP A 47 6.159 -0.136 7.490 1.00 62.14 C ATOM 728 CG ASP A 47 7.568 0.395 7.687 1.00 32.32 C ATOM 729 OD1 ASP A 47 8.164 0.899 6.709 1.00 4.42 O ATOM 730 OD2 ASP A 47 8.092 0.308 8.816 1.00 74.34 O ATOM 0 H ASP A 47 6.786 -0.054 5.116 1.00 54.35 H new ATOM 0 HA ASP A 47 6.785 -2.156 6.998 1.00 20.44 H new ATOM 0 HB2 ASP A 47 5.541 0.642 7.042 1.00 62.14 H new ATOM 0 HB3 ASP A 47 5.723 -0.369 8.461 1.00 62.14 H new ATOM 735 N GLY A 48 3.974 -1.812 5.497 1.00 3.22 N ATOM 736 CA GLY A 48 2.609 -2.321 5.406 1.00 22.43 C ATOM 737 C GLY A 48 1.575 -1.417 6.079 1.00 34.42 C ATOM 738 O GLY A 48 0.452 -1.285 5.593 1.00 74.34 O ATOM 0 H GLY A 48 4.307 -1.334 4.660 1.00 3.22 H new ATOM 0 HA2 GLY A 48 2.344 -2.443 4.356 1.00 22.43 H new ATOM 0 HA3 GLY A 48 2.567 -3.310 5.862 1.00 22.43 H new ATOM 742 N VAL A 49 1.958 -0.793 7.195 1.00 31.23 N ATOM 743 CA VAL A 49 1.063 0.095 7.955 1.00 24.22 C ATOM 744 C VAL A 49 0.367 1.133 7.051 1.00 74.24 C ATOM 745 O VAL A 49 -0.840 1.357 7.161 1.00 73.40 O ATOM 746 CB VAL A 49 1.835 0.835 9.080 1.00 60.52 C ATOM 747 CG1 VAL A 49 0.892 1.701 9.917 1.00 23.34 C ATOM 748 CG2 VAL A 49 2.590 -0.159 9.965 1.00 24.44 C ATOM 0 H VAL A 49 2.890 -0.885 7.599 1.00 31.23 H new ATOM 0 HA VAL A 49 0.298 -0.544 8.396 1.00 24.22 H new ATOM 0 HB VAL A 49 2.564 1.494 8.609 1.00 60.52 H new ATOM 0 HG11 VAL A 49 1.460 2.208 10.697 1.00 23.34 H new ATOM 0 HG12 VAL A 49 0.414 2.442 9.277 1.00 23.34 H new ATOM 0 HG13 VAL A 49 0.129 1.071 10.374 1.00 23.34 H new ATOM 0 HG21 VAL A 49 3.124 0.382 10.746 1.00 24.44 H new ATOM 0 HG22 VAL A 49 1.882 -0.851 10.421 1.00 24.44 H new ATOM 0 HG23 VAL A 49 3.303 -0.717 9.359 1.00 24.44 H new ATOM 758 N VAL A 50 1.132 1.759 6.156 1.00 13.21 N ATOM 759 CA VAL A 50 0.579 2.737 5.209 1.00 53.53 C ATOM 760 C VAL A 50 -0.530 2.114 4.337 1.00 55.31 C ATOM 761 O VAL A 50 -1.560 2.741 4.074 1.00 72.22 O ATOM 762 CB VAL A 50 1.689 3.322 4.298 1.00 22.31 C ATOM 763 CG1 VAL A 50 1.120 4.377 3.350 1.00 13.44 C ATOM 764 CG2 VAL A 50 2.828 3.903 5.137 1.00 75.33 C ATOM 0 H VAL A 50 2.137 1.609 6.064 1.00 13.21 H new ATOM 0 HA VAL A 50 0.145 3.543 5.801 1.00 53.53 H new ATOM 0 HB VAL A 50 2.092 2.509 3.693 1.00 22.31 H new ATOM 0 HG11 VAL A 50 1.919 4.771 2.722 1.00 13.44 H new ATOM 0 HG12 VAL A 50 0.354 3.925 2.720 1.00 13.44 H new ATOM 0 HG13 VAL A 50 0.681 5.188 3.930 1.00 13.44 H new ATOM 0 HG21 VAL A 50 3.596 4.308 4.478 1.00 75.33 H new ATOM 0 HG22 VAL A 50 2.441 4.698 5.775 1.00 75.33 H new ATOM 0 HG23 VAL A 50 3.260 3.118 5.758 1.00 75.33 H new ATOM 774 N LEU A 51 -0.319 0.868 3.909 1.00 50.45 N ATOM 775 CA LEU A 51 -1.319 0.131 3.127 1.00 50.40 C ATOM 776 C LEU A 51 -2.583 -0.131 3.961 1.00 41.21 C ATOM 777 O LEU A 51 -3.704 0.008 3.468 1.00 51.14 O ATOM 778 CB LEU A 51 -0.735 -1.201 2.636 1.00 13.55 C ATOM 779 CG LEU A 51 0.446 -1.086 1.662 1.00 13.41 C ATOM 780 CD1 LEU A 51 1.013 -2.465 1.340 1.00 73.12 C ATOM 781 CD2 LEU A 51 0.019 -0.370 0.383 1.00 2.13 C ATOM 0 H LEU A 51 0.538 0.345 4.090 1.00 50.45 H new ATOM 0 HA LEU A 51 -1.592 0.742 2.266 1.00 50.40 H new ATOM 0 HB2 LEU A 51 -0.413 -1.778 3.503 1.00 13.55 H new ATOM 0 HB3 LEU A 51 -1.529 -1.769 2.151 1.00 13.55 H new ATOM 0 HG LEU A 51 1.228 -0.497 2.141 1.00 13.41 H new ATOM 0 HD11 LEU A 51 1.849 -2.362 0.648 1.00 73.12 H new ATOM 0 HD12 LEU A 51 1.358 -2.940 2.258 1.00 73.12 H new ATOM 0 HD13 LEU A 51 0.237 -3.080 0.883 1.00 73.12 H new ATOM 0 HD21 LEU A 51 0.869 -0.298 -0.295 1.00 2.13 H new ATOM 0 HD22 LEU A 51 -0.782 -0.931 -0.098 1.00 2.13 H new ATOM 0 HD23 LEU A 51 -0.336 0.631 0.628 1.00 2.13 H new ATOM 793 N CYS A 52 -2.391 -0.510 5.225 1.00 52.02 N ATOM 794 CA CYS A 52 -3.513 -0.724 6.151 1.00 1.44 C ATOM 795 C CYS A 52 -4.372 0.544 6.269 1.00 62.30 C ATOM 796 O CYS A 52 -5.601 0.484 6.217 1.00 1.20 O ATOM 797 CB CYS A 52 -2.994 -1.138 7.536 1.00 63.12 C ATOM 798 SG CYS A 52 -1.919 -2.595 7.519 1.00 51.33 S ATOM 0 H CYS A 52 -1.472 -0.676 5.634 1.00 52.02 H new ATOM 0 HA CYS A 52 -4.133 -1.527 5.752 1.00 1.44 H new ATOM 0 HB2 CYS A 52 -2.447 -0.302 7.972 1.00 63.12 H new ATOM 0 HB3 CYS A 52 -3.846 -1.336 8.187 1.00 63.12 H new ATOM 0 HG CYS A 52 -0.855 -2.341 6.817 1.00 51.33 H new ATOM 804 N ARG A 53 -3.711 1.695 6.416 1.00 35.52 N ATOM 805 CA ARG A 53 -4.403 2.992 6.431 1.00 73.40 C ATOM 806 C ARG A 53 -5.184 3.204 5.124 1.00 4.44 C ATOM 807 O ARG A 53 -6.354 3.586 5.134 1.00 20.01 O ATOM 808 CB ARG A 53 -3.395 4.140 6.600 1.00 44.31 C ATOM 809 CG ARG A 53 -2.494 4.028 7.825 1.00 74.33 C ATOM 810 CD ARG A 53 -1.452 5.145 7.842 1.00 61.20 C ATOM 811 NE ARG A 53 -0.503 5.023 8.947 1.00 61.33 N ATOM 812 CZ ARG A 53 0.719 5.488 8.918 1.00 25.04 C ATOM 813 NH1 ARG A 53 1.179 6.094 7.865 1.00 54.50 N ATOM 814 NH2 ARG A 53 1.486 5.348 9.950 1.00 42.32 N ATOM 0 H ARG A 53 -2.699 1.758 6.526 1.00 35.52 H new ATOM 0 HA ARG A 53 -5.096 2.989 7.272 1.00 73.40 H new ATOM 0 HB2 ARG A 53 -2.768 4.188 5.709 1.00 44.31 H new ATOM 0 HB3 ARG A 53 -3.943 5.080 6.655 1.00 44.31 H new ATOM 0 HG2 ARG A 53 -3.098 4.076 8.731 1.00 74.33 H new ATOM 0 HG3 ARG A 53 -1.994 3.059 7.826 1.00 74.33 H new ATOM 0 HD2 ARG A 53 -0.906 5.139 6.899 1.00 61.20 H new ATOM 0 HD3 ARG A 53 -1.960 6.107 7.911 1.00 61.20 H new ATOM 0 HE ARG A 53 -0.813 4.546 9.793 1.00 61.33 H new ATOM 0 HH11 ARG A 53 0.585 6.213 7.045 1.00 54.50 H new ATOM 0 HH12 ARG A 53 2.135 6.451 7.859 1.00 54.50 H new ATOM 0 HH21 ARG A 53 1.137 4.876 10.784 1.00 42.32 H new ATOM 0 HH22 ARG A 53 2.439 5.710 9.930 1.00 42.32 H new ATOM 828 N LEU A 54 -4.504 2.953 4.005 1.00 54.23 N ATOM 829 CA LEU A 54 -5.081 3.109 2.664 1.00 55.33 C ATOM 830 C LEU A 54 -6.385 2.313 2.510 1.00 13.23 C ATOM 831 O LEU A 54 -7.406 2.849 2.067 1.00 32.24 O ATOM 832 CB LEU A 54 -4.051 2.658 1.614 1.00 72.31 C ATOM 833 CG LEU A 54 -4.481 2.793 0.145 1.00 2.30 C ATOM 834 CD1 LEU A 54 -4.784 4.247 -0.198 1.00 35.33 C ATOM 835 CD2 LEU A 54 -3.402 2.229 -0.782 1.00 41.13 C ATOM 0 H LEU A 54 -3.535 2.635 4.000 1.00 54.23 H new ATOM 0 HA LEU A 54 -5.325 4.161 2.514 1.00 55.33 H new ATOM 0 HB2 LEU A 54 -3.138 3.235 1.759 1.00 72.31 H new ATOM 0 HB3 LEU A 54 -3.802 1.614 1.804 1.00 72.31 H new ATOM 0 HG LEU A 54 -5.394 2.215 -0.000 1.00 2.30 H new ATOM 0 HD11 LEU A 54 -5.086 4.319 -1.243 1.00 35.33 H new ATOM 0 HD12 LEU A 54 -5.590 4.611 0.439 1.00 35.33 H new ATOM 0 HD13 LEU A 54 -3.892 4.853 -0.036 1.00 35.33 H new ATOM 0 HD21 LEU A 54 -3.723 2.332 -1.819 1.00 41.13 H new ATOM 0 HD22 LEU A 54 -2.472 2.777 -0.633 1.00 41.13 H new ATOM 0 HD23 LEU A 54 -3.242 1.175 -0.555 1.00 41.13 H new ATOM 847 N LEU A 55 -6.349 1.039 2.885 1.00 30.45 N ATOM 848 CA LEU A 55 -7.523 0.175 2.776 1.00 2.31 C ATOM 849 C LEU A 55 -8.667 0.663 3.685 1.00 23.31 C ATOM 850 O LEU A 55 -9.823 0.656 3.280 1.00 45.14 O ATOM 851 CB LEU A 55 -7.155 -1.277 3.108 1.00 44.13 C ATOM 852 CG LEU A 55 -8.269 -2.310 2.858 1.00 2.22 C ATOM 853 CD1 LEU A 55 -8.729 -2.280 1.401 1.00 1.12 C ATOM 854 CD2 LEU A 55 -7.799 -3.709 3.242 1.00 33.11 C ATOM 0 H LEU A 55 -5.522 0.580 3.267 1.00 30.45 H new ATOM 0 HA LEU A 55 -7.874 0.220 1.745 1.00 2.31 H new ATOM 0 HB2 LEU A 55 -6.282 -1.558 2.518 1.00 44.13 H new ATOM 0 HB3 LEU A 55 -6.861 -1.330 4.156 1.00 44.13 H new ATOM 0 HG LEU A 55 -9.120 -2.046 3.486 1.00 2.22 H new ATOM 0 HD11 LEU A 55 -9.516 -3.019 1.253 1.00 1.12 H new ATOM 0 HD12 LEU A 55 -9.113 -1.288 1.161 1.00 1.12 H new ATOM 0 HD13 LEU A 55 -7.887 -2.511 0.749 1.00 1.12 H new ATOM 0 HD21 LEU A 55 -8.600 -4.425 3.058 1.00 33.11 H new ATOM 0 HD22 LEU A 55 -6.928 -3.977 2.644 1.00 33.11 H new ATOM 0 HD23 LEU A 55 -7.533 -3.726 4.299 1.00 33.11 H new ATOM 866 N GLU A 56 -8.337 1.096 4.903 1.00 41.11 N ATOM 867 CA GLU A 56 -9.352 1.611 5.840 1.00 63.54 C ATOM 868 C GLU A 56 -9.944 2.962 5.380 1.00 43.34 C ATOM 869 O GLU A 56 -11.055 3.323 5.767 1.00 60.21 O ATOM 870 CB GLU A 56 -8.760 1.747 7.253 1.00 52.30 C ATOM 871 CG GLU A 56 -8.432 0.412 7.923 1.00 4.01 C ATOM 872 CD GLU A 56 -9.662 -0.460 8.152 1.00 41.41 C ATOM 873 OE1 GLU A 56 -10.025 -1.236 7.246 1.00 34.53 O ATOM 874 OE2 GLU A 56 -10.268 -0.378 9.244 1.00 5.31 O ATOM 0 H GLU A 56 -7.384 1.103 5.267 1.00 41.11 H new ATOM 0 HA GLU A 56 -10.167 0.887 5.857 1.00 63.54 H new ATOM 0 HB2 GLU A 56 -7.852 2.347 7.199 1.00 52.30 H new ATOM 0 HB3 GLU A 56 -9.465 2.293 7.880 1.00 52.30 H new ATOM 0 HG2 GLU A 56 -7.718 -0.132 7.305 1.00 4.01 H new ATOM 0 HG3 GLU A 56 -7.945 0.602 8.880 1.00 4.01 H new ATOM 881 N ARG A 57 -9.197 3.714 4.570 1.00 4.04 N ATOM 882 CA ARG A 57 -9.699 4.981 4.011 1.00 34.24 C ATOM 883 C ARG A 57 -10.720 4.739 2.889 1.00 34.43 C ATOM 884 O ARG A 57 -11.693 5.479 2.750 1.00 11.14 O ATOM 885 CB ARG A 57 -8.537 5.833 3.477 1.00 62.30 C ATOM 886 CG ARG A 57 -7.668 6.454 4.566 1.00 53.01 C ATOM 887 CD ARG A 57 -8.438 7.485 5.386 1.00 63.20 C ATOM 888 NE ARG A 57 -7.584 8.146 6.371 1.00 21.44 N ATOM 889 CZ ARG A 57 -7.841 9.309 6.907 1.00 54.32 C ATOM 890 NH1 ARG A 57 -8.897 9.980 6.565 1.00 54.13 N ATOM 891 NH2 ARG A 57 -7.022 9.808 7.775 1.00 22.32 N ATOM 0 H ARG A 57 -8.248 3.474 4.285 1.00 4.04 H new ATOM 0 HA ARG A 57 -10.199 5.516 4.818 1.00 34.24 H new ATOM 0 HB2 ARG A 57 -7.910 5.213 2.837 1.00 62.30 H new ATOM 0 HB3 ARG A 57 -8.942 6.629 2.852 1.00 62.30 H new ATOM 0 HG2 ARG A 57 -7.296 5.670 5.225 1.00 53.01 H new ATOM 0 HG3 ARG A 57 -6.798 6.928 4.111 1.00 53.01 H new ATOM 0 HD2 ARG A 57 -8.868 8.232 4.719 1.00 63.20 H new ATOM 0 HD3 ARG A 57 -9.269 6.997 5.895 1.00 63.20 H new ATOM 0 HE ARG A 57 -6.731 7.667 6.659 1.00 21.44 H new ATOM 0 HH11 ARG A 57 -9.539 9.601 5.869 1.00 54.13 H new ATOM 0 HH12 ARG A 57 -9.085 10.887 6.992 1.00 54.13 H new ATOM 0 HH21 ARG A 57 -6.181 9.294 8.037 1.00 22.32 H new ATOM 0 HH22 ARG A 57 -7.217 10.716 8.197 1.00 22.32 H new ATOM 905 N LEU A 58 -10.484 3.704 2.087 1.00 73.43 N ATOM 906 CA LEU A 58 -11.360 3.386 0.953 1.00 62.13 C ATOM 907 C LEU A 58 -12.477 2.409 1.367 1.00 44.21 C ATOM 908 O LEU A 58 -13.657 2.637 1.094 1.00 14.13 O ATOM 909 CB LEU A 58 -10.522 2.793 -0.188 1.00 52.43 C ATOM 910 CG LEU A 58 -9.370 3.693 -0.677 1.00 72.51 C ATOM 911 CD1 LEU A 58 -8.516 2.977 -1.718 1.00 23.31 C ATOM 912 CD2 LEU A 58 -9.910 5.011 -1.231 1.00 14.54 C ATOM 0 H LEU A 58 -9.694 3.068 2.198 1.00 73.43 H new ATOM 0 HA LEU A 58 -11.838 4.305 0.613 1.00 62.13 H new ATOM 0 HB2 LEU A 58 -10.106 1.841 0.142 1.00 52.43 H new ATOM 0 HB3 LEU A 58 -11.180 2.579 -1.030 1.00 52.43 H new ATOM 0 HG LEU A 58 -8.734 3.918 0.179 1.00 72.51 H new ATOM 0 HD11 LEU A 58 -7.712 3.636 -2.044 1.00 23.31 H new ATOM 0 HD12 LEU A 58 -8.090 2.074 -1.281 1.00 23.31 H new ATOM 0 HD13 LEU A 58 -9.135 2.708 -2.574 1.00 23.31 H new ATOM 0 HD21 LEU A 58 -9.080 5.630 -1.570 1.00 14.54 H new ATOM 0 HD22 LEU A 58 -10.577 4.807 -2.069 1.00 14.54 H new ATOM 0 HD23 LEU A 58 -10.459 5.536 -0.450 1.00 14.54 H new ATOM 924 N LEU A 59 -12.088 1.317 2.018 1.00 41.54 N ATOM 925 CA LEU A 59 -13.036 0.344 2.576 1.00 64.22 C ATOM 926 C LEU A 59 -12.861 0.250 4.104 1.00 15.04 C ATOM 927 O LEU A 59 -12.124 -0.603 4.604 1.00 23.10 O ATOM 928 CB LEU A 59 -12.825 -1.038 1.934 1.00 43.24 C ATOM 929 CG LEU A 59 -12.993 -1.090 0.406 1.00 3.12 C ATOM 930 CD1 LEU A 59 -12.687 -2.487 -0.127 1.00 45.40 C ATOM 931 CD2 LEU A 59 -14.401 -0.656 0.002 1.00 21.35 C ATOM 0 H LEU A 59 -11.109 1.077 2.176 1.00 41.54 H new ATOM 0 HA LEU A 59 -14.049 0.680 2.356 1.00 64.22 H new ATOM 0 HB2 LEU A 59 -11.823 -1.386 2.184 1.00 43.24 H new ATOM 0 HB3 LEU A 59 -13.528 -1.739 2.384 1.00 43.24 H new ATOM 0 HG LEU A 59 -12.280 -0.394 -0.036 1.00 3.12 H new ATOM 0 HD11 LEU A 59 -12.813 -2.499 -1.210 1.00 45.40 H new ATOM 0 HD12 LEU A 59 -11.660 -2.755 0.122 1.00 45.40 H new ATOM 0 HD13 LEU A 59 -13.369 -3.207 0.325 1.00 45.40 H new ATOM 0 HD21 LEU A 59 -14.498 -0.700 -1.083 1.00 21.35 H new ATOM 0 HD22 LEU A 59 -15.132 -1.322 0.459 1.00 21.35 H new ATOM 0 HD23 LEU A 59 -14.578 0.365 0.341 1.00 21.35 H new ATOM 943 N PRO A 60 -13.528 1.141 4.864 1.00 20.44 N ATOM 944 CA PRO A 60 -13.355 1.225 6.327 1.00 71.43 C ATOM 945 C PRO A 60 -13.879 -0.011 7.077 1.00 64.31 C ATOM 946 O PRO A 60 -15.034 -0.416 6.912 1.00 3.14 O ATOM 947 CB PRO A 60 -14.164 2.476 6.709 1.00 10.42 C ATOM 948 CG PRO A 60 -15.177 2.621 5.622 1.00 5.31 C ATOM 949 CD PRO A 60 -14.499 2.136 4.367 1.00 10.32 C ATOM 0 HA PRO A 60 -12.301 1.276 6.601 1.00 71.43 H new ATOM 0 HB2 PRO A 60 -14.642 2.357 7.682 1.00 10.42 H new ATOM 0 HB3 PRO A 60 -13.524 3.356 6.774 1.00 10.42 H new ATOM 0 HG2 PRO A 60 -16.069 2.033 5.837 1.00 5.31 H new ATOM 0 HG3 PRO A 60 -15.496 3.658 5.519 1.00 5.31 H new ATOM 0 HD2 PRO A 60 -15.211 1.690 3.672 1.00 10.32 H new ATOM 0 HD3 PRO A 60 -14.004 2.950 3.837 1.00 10.32 H new ATOM 957 N GLY A 61 -13.021 -0.606 7.903 1.00 50.35 N ATOM 958 CA GLY A 61 -13.421 -1.755 8.711 1.00 14.23 C ATOM 959 C GLY A 61 -13.012 -3.094 8.108 1.00 54.33 C ATOM 960 O GLY A 61 -13.520 -4.141 8.506 1.00 61.44 O ATOM 0 H GLY A 61 -12.052 -0.314 8.030 1.00 50.35 H new ATOM 0 HA2 GLY A 61 -12.980 -1.663 9.703 1.00 14.23 H new ATOM 0 HA3 GLY A 61 -14.503 -1.739 8.840 1.00 14.23 H new ATOM 964 N THR A 62 -12.088 -3.069 7.154 1.00 70.13 N ATOM 965 CA THR A 62 -11.627 -4.296 6.493 1.00 75.03 C ATOM 966 C THR A 62 -10.432 -4.918 7.232 1.00 10.30 C ATOM 967 O THR A 62 -10.389 -6.132 7.454 1.00 73.15 O ATOM 968 CB THR A 62 -11.226 -4.031 5.023 1.00 71.23 C ATOM 969 OG1 THR A 62 -12.298 -3.378 4.328 1.00 21.04 O ATOM 970 CG2 THR A 62 -10.884 -5.329 4.303 1.00 12.54 C ATOM 0 H THR A 62 -11.641 -2.216 6.818 1.00 70.13 H new ATOM 0 HA THR A 62 -12.464 -4.994 6.515 1.00 75.03 H new ATOM 0 HB THR A 62 -10.344 -3.390 5.030 1.00 71.23 H new ATOM 0 HG1 THR A 62 -12.217 -2.408 4.440 1.00 21.04 H new ATOM 0 HG21 THR A 62 -10.606 -5.111 3.272 1.00 12.54 H new ATOM 0 HG22 THR A 62 -10.050 -5.817 4.808 1.00 12.54 H new ATOM 0 HG23 THR A 62 -11.751 -5.990 4.313 1.00 12.54 H new ATOM 978 N ILE A 63 -9.465 -4.084 7.613 1.00 43.52 N ATOM 979 CA ILE A 63 -8.283 -4.554 8.347 1.00 23.41 C ATOM 980 C ILE A 63 -8.674 -5.097 9.730 1.00 14.41 C ATOM 981 O ILE A 63 -9.213 -4.365 10.569 1.00 4.32 O ATOM 982 CB ILE A 63 -7.236 -3.424 8.518 1.00 72.34 C ATOM 983 CG1 ILE A 63 -6.766 -2.907 7.148 1.00 43.05 C ATOM 984 CG2 ILE A 63 -6.044 -3.905 9.349 1.00 53.12 C ATOM 985 CD1 ILE A 63 -6.047 -3.943 6.310 1.00 25.02 C ATOM 0 H ILE A 63 -9.474 -3.081 7.428 1.00 43.52 H new ATOM 0 HA ILE A 63 -7.840 -5.357 7.758 1.00 23.41 H new ATOM 0 HB ILE A 63 -7.712 -2.601 9.051 1.00 72.34 H new ATOM 0 HG12 ILE A 63 -7.630 -2.543 6.593 1.00 43.05 H new ATOM 0 HG13 ILE A 63 -6.103 -2.055 7.301 1.00 43.05 H new ATOM 0 HG21 ILE A 63 -5.323 -3.094 9.455 1.00 53.12 H new ATOM 0 HG22 ILE A 63 -6.389 -4.214 10.335 1.00 53.12 H new ATOM 0 HG23 ILE A 63 -5.569 -4.749 8.849 1.00 53.12 H new ATOM 0 HD11 ILE A 63 -5.748 -3.499 5.360 1.00 25.02 H new ATOM 0 HD12 ILE A 63 -5.162 -4.291 6.842 1.00 25.02 H new ATOM 0 HD13 ILE A 63 -6.713 -4.786 6.123 1.00 25.02 H new ATOM 997 N GLU A 64 -8.389 -6.378 9.964 1.00 71.24 N ATOM 998 CA GLU A 64 -8.760 -7.042 11.219 1.00 62.53 C ATOM 999 C GLU A 64 -7.690 -6.818 12.300 1.00 12.03 C ATOM 1000 O GLU A 64 -8.006 -6.666 13.487 1.00 24.24 O ATOM 1001 CB GLU A 64 -8.965 -8.546 10.971 1.00 23.12 C ATOM 1002 CG GLU A 64 -9.578 -9.297 12.152 1.00 3.04 C ATOM 1003 CD GLU A 64 -9.797 -10.777 11.864 1.00 20.20 C ATOM 1004 OE1 GLU A 64 -10.404 -11.103 10.824 1.00 5.23 O ATOM 1005 OE2 GLU A 64 -9.365 -11.621 12.680 1.00 1.30 O ATOM 0 H GLU A 64 -7.901 -6.980 9.301 1.00 71.24 H new ATOM 0 HA GLU A 64 -9.693 -6.608 11.578 1.00 62.53 H new ATOM 0 HB2 GLU A 64 -9.607 -8.675 10.100 1.00 23.12 H new ATOM 0 HB3 GLU A 64 -8.003 -8.997 10.728 1.00 23.12 H new ATOM 0 HG2 GLU A 64 -8.926 -9.193 13.020 1.00 3.04 H new ATOM 0 HG3 GLU A 64 -10.532 -8.838 12.413 1.00 3.04 H new ATOM 1012 N LYS A 65 -6.423 -6.803 11.886 1.00 3.13 N ATOM 1013 CA LYS A 65 -5.310 -6.527 12.804 1.00 63.02 C ATOM 1014 C LYS A 65 -4.128 -5.874 12.069 1.00 62.43 C ATOM 1015 O LYS A 65 -3.935 -6.091 10.876 1.00 21.33 O ATOM 1016 CB LYS A 65 -4.846 -7.818 13.499 1.00 70.55 C ATOM 1017 CG LYS A 65 -3.711 -7.591 14.497 1.00 73.51 C ATOM 1018 CD LYS A 65 -3.365 -8.847 15.284 1.00 14.32 C ATOM 1019 CE LYS A 65 -2.303 -8.566 16.342 1.00 1.32 C ATOM 1020 NZ LYS A 65 -2.717 -7.481 17.272 1.00 71.44 N ATOM 0 H LYS A 65 -6.139 -6.978 10.922 1.00 3.13 H new ATOM 0 HA LYS A 65 -5.672 -5.829 13.558 1.00 63.02 H new ATOM 0 HB2 LYS A 65 -5.693 -8.268 14.018 1.00 70.55 H new ATOM 0 HB3 LYS A 65 -4.519 -8.532 12.743 1.00 70.55 H new ATOM 0 HG2 LYS A 65 -2.826 -7.246 13.963 1.00 73.51 H new ATOM 0 HG3 LYS A 65 -3.994 -6.799 15.190 1.00 73.51 H new ATOM 0 HD2 LYS A 65 -4.263 -9.237 15.763 1.00 14.32 H new ATOM 0 HD3 LYS A 65 -3.006 -9.618 14.602 1.00 14.32 H new ATOM 0 HE2 LYS A 65 -2.107 -9.476 16.910 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.369 -8.288 15.854 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -2.136 -7.522 18.134 1.00 71.44 H new ATOM 0 HZ2 LYS A 65 -2.586 -6.559 16.810 1.00 71.44 H new ATOM 0 HZ3 LYS A 65 -3.719 -7.603 17.523 1.00 71.44 H new ATOM 1034 N VAL A 66 -3.344 -5.072 12.791 1.00 64.13 N ATOM 1035 CA VAL A 66 -2.169 -4.406 12.214 1.00 61.32 C ATOM 1036 C VAL A 66 -1.062 -4.212 13.266 1.00 54.14 C ATOM 1037 O VAL A 66 -1.338 -4.060 14.456 1.00 3.51 O ATOM 1038 CB VAL A 66 -2.546 -3.025 11.608 1.00 63.45 C ATOM 1039 CG1 VAL A 66 -3.061 -2.082 12.694 1.00 22.02 C ATOM 1040 CG2 VAL A 66 -1.359 -2.408 10.859 1.00 3.25 C ATOM 0 H VAL A 66 -3.499 -4.866 13.778 1.00 64.13 H new ATOM 0 HA VAL A 66 -1.795 -5.054 11.421 1.00 61.32 H new ATOM 0 HB VAL A 66 -3.348 -3.180 10.886 1.00 63.45 H new ATOM 0 HG11 VAL A 66 -3.319 -1.121 12.249 1.00 22.02 H new ATOM 0 HG12 VAL A 66 -3.945 -2.515 13.162 1.00 22.02 H new ATOM 0 HG13 VAL A 66 -2.286 -1.937 13.447 1.00 22.02 H new ATOM 0 HG21 VAL A 66 -1.652 -1.443 10.446 1.00 3.25 H new ATOM 0 HG22 VAL A 66 -0.526 -2.270 11.548 1.00 3.25 H new ATOM 0 HG23 VAL A 66 -1.055 -3.072 10.050 1.00 3.25 H new ATOM 1050 N TYR A 67 0.189 -4.234 12.817 1.00 23.22 N ATOM 1051 CA TYR A 67 1.338 -3.980 13.692 1.00 24.43 C ATOM 1052 C TYR A 67 1.944 -2.593 13.402 1.00 21.22 C ATOM 1053 O TYR A 67 2.670 -2.423 12.419 1.00 1.11 O ATOM 1054 CB TYR A 67 2.408 -5.065 13.497 1.00 0.10 C ATOM 1055 CG TYR A 67 1.898 -6.485 13.690 1.00 73.34 C ATOM 1056 CD1 TYR A 67 1.929 -7.100 14.938 1.00 14.21 C ATOM 1057 CD2 TYR A 67 1.394 -7.215 12.616 1.00 73.14 C ATOM 1058 CE1 TYR A 67 1.474 -8.397 15.109 1.00 54.13 C ATOM 1059 CE2 TYR A 67 0.940 -8.509 12.779 1.00 31.03 C ATOM 1060 CZ TYR A 67 0.982 -9.095 14.026 1.00 11.51 C ATOM 1061 OH TYR A 67 0.531 -10.386 14.189 1.00 11.41 O ATOM 0 H TYR A 67 0.438 -4.426 11.847 1.00 23.22 H new ATOM 0 HA TYR A 67 0.991 -4.003 14.725 1.00 24.43 H new ATOM 0 HB2 TYR A 67 2.824 -4.973 12.494 1.00 0.10 H new ATOM 0 HB3 TYR A 67 3.224 -4.885 14.198 1.00 0.10 H new ATOM 0 HD1 TYR A 67 2.315 -6.557 15.788 1.00 14.21 H new ATOM 0 HD2 TYR A 67 1.358 -6.760 11.637 1.00 73.14 H new ATOM 0 HE1 TYR A 67 1.504 -8.859 16.085 1.00 54.13 H new ATOM 0 HE2 TYR A 67 0.554 -9.059 11.934 1.00 31.03 H new ATOM 0 HH TYR A 67 0.217 -10.734 13.328 1.00 11.41 H new ATOM 1071 N PRO A 68 1.653 -1.580 14.250 1.00 25.32 N ATOM 1072 CA PRO A 68 2.149 -0.202 14.045 1.00 51.24 C ATOM 1073 C PRO A 68 3.683 -0.091 14.119 1.00 4.32 C ATOM 1074 O PRO A 68 4.264 0.921 13.718 1.00 42.21 O ATOM 1075 CB PRO A 68 1.489 0.595 15.184 1.00 44.24 C ATOM 1076 CG PRO A 68 1.136 -0.426 16.217 1.00 53.22 C ATOM 1077 CD PRO A 68 0.816 -1.689 15.462 1.00 73.41 C ATOM 0 HA PRO A 68 1.900 0.165 13.049 1.00 51.24 H new ATOM 0 HB2 PRO A 68 2.170 1.345 15.587 1.00 44.24 H new ATOM 0 HB3 PRO A 68 0.603 1.124 14.833 1.00 44.24 H new ATOM 0 HG2 PRO A 68 1.964 -0.584 16.908 1.00 53.22 H new ATOM 0 HG3 PRO A 68 0.282 -0.100 16.812 1.00 53.22 H new ATOM 0 HD2 PRO A 68 1.062 -2.578 16.042 1.00 73.41 H new ATOM 0 HD3 PRO A 68 -0.244 -1.753 15.215 1.00 73.41 H new ATOM 1085 N GLU A 69 4.332 -1.132 14.632 1.00 14.14 N ATOM 1086 CA GLU A 69 5.795 -1.174 14.732 1.00 13.43 C ATOM 1087 C GLU A 69 6.342 -2.554 14.301 1.00 15.30 C ATOM 1088 O GLU A 69 6.555 -3.442 15.130 1.00 63.11 O ATOM 1089 CB GLU A 69 6.231 -0.820 16.167 1.00 51.25 C ATOM 1090 CG GLU A 69 5.562 -1.667 17.251 1.00 74.14 C ATOM 1091 CD GLU A 69 5.809 -1.133 18.655 1.00 31.14 C ATOM 1092 OE1 GLU A 69 6.883 -1.415 19.229 1.00 2.41 O ATOM 1093 OE2 GLU A 69 4.925 -0.430 19.190 1.00 11.52 O ATOM 0 H GLU A 69 3.867 -1.967 14.989 1.00 14.14 H new ATOM 0 HA GLU A 69 6.215 -0.434 14.051 1.00 13.43 H new ATOM 0 HB2 GLU A 69 7.312 -0.936 16.246 1.00 51.25 H new ATOM 0 HB3 GLU A 69 6.009 0.231 16.354 1.00 51.25 H new ATOM 0 HG2 GLU A 69 4.489 -1.704 17.065 1.00 74.14 H new ATOM 0 HG3 GLU A 69 5.932 -2.690 17.186 1.00 74.14 H new ATOM 1100 N PRO A 70 6.556 -2.760 12.983 1.00 15.44 N ATOM 1101 CA PRO A 70 7.027 -4.049 12.448 1.00 5.31 C ATOM 1102 C PRO A 70 8.497 -4.351 12.798 1.00 72.13 C ATOM 1103 O PRO A 70 9.414 -4.060 12.027 1.00 74.13 O ATOM 1104 CB PRO A 70 6.839 -3.893 10.934 1.00 13.15 C ATOM 1105 CG PRO A 70 6.938 -2.424 10.692 1.00 5.51 C ATOM 1106 CD PRO A 70 6.348 -1.760 11.913 1.00 23.11 C ATOM 0 HA PRO A 70 6.477 -4.888 12.874 1.00 5.31 H new ATOM 0 HB2 PRO A 70 7.604 -4.438 10.381 1.00 13.15 H new ATOM 0 HB3 PRO A 70 5.874 -4.284 10.612 1.00 13.15 H new ATOM 0 HG2 PRO A 70 7.975 -2.122 10.546 1.00 5.51 H new ATOM 0 HG3 PRO A 70 6.393 -2.139 9.792 1.00 5.51 H new ATOM 0 HD2 PRO A 70 6.849 -0.819 12.140 1.00 23.11 H new ATOM 0 HD3 PRO A 70 5.291 -1.533 11.775 1.00 23.11 H new ATOM 1114 N ARG A 71 8.704 -4.935 13.973 1.00 11.12 N ATOM 1115 CA ARG A 71 10.038 -5.314 14.449 1.00 10.53 C ATOM 1116 C ARG A 71 10.533 -6.584 13.741 1.00 71.23 C ATOM 1117 O ARG A 71 11.710 -6.697 13.391 1.00 15.00 O ATOM 1118 CB ARG A 71 9.982 -5.523 15.974 1.00 40.13 C ATOM 1119 CG ARG A 71 11.175 -6.260 16.578 1.00 2.14 C ATOM 1120 CD ARG A 71 12.489 -5.504 16.419 1.00 45.22 C ATOM 1121 NE ARG A 71 13.577 -6.193 17.116 1.00 64.05 N ATOM 1122 CZ ARG A 71 14.563 -6.814 16.525 1.00 23.42 C ATOM 1123 NH1 ARG A 71 14.691 -6.774 15.240 1.00 42.45 N ATOM 1124 NH2 ARG A 71 15.431 -7.463 17.227 1.00 35.54 N ATOM 0 H ARG A 71 7.954 -5.161 14.626 1.00 11.12 H new ATOM 0 HA ARG A 71 10.744 -4.517 14.217 1.00 10.53 H new ATOM 0 HB2 ARG A 71 9.898 -4.548 16.454 1.00 40.13 H new ATOM 0 HB3 ARG A 71 9.075 -6.077 16.215 1.00 40.13 H new ATOM 0 HG2 ARG A 71 10.989 -6.433 17.638 1.00 2.14 H new ATOM 0 HG3 ARG A 71 11.266 -7.238 16.106 1.00 2.14 H new ATOM 0 HD2 ARG A 71 12.733 -5.409 15.361 1.00 45.22 H new ATOM 0 HD3 ARG A 71 12.382 -4.494 16.813 1.00 45.22 H new ATOM 0 HE ARG A 71 13.564 -6.188 18.136 1.00 64.05 H new ATOM 0 HH11 ARG A 71 14.018 -6.254 14.676 1.00 42.45 H new ATOM 0 HH12 ARG A 71 15.465 -7.262 14.789 1.00 42.45 H new ATOM 0 HH21 ARG A 71 15.347 -7.491 18.243 1.00 35.54 H new ATOM 0 HH22 ARG A 71 16.201 -7.948 16.765 1.00 35.54 H new ATOM 1138 N SER A 72 9.623 -7.524 13.518 1.00 34.53 N ATOM 1139 CA SER A 72 9.964 -8.806 12.884 1.00 53.44 C ATOM 1140 C SER A 72 9.304 -8.956 11.505 1.00 54.21 C ATOM 1141 O SER A 72 8.260 -8.354 11.230 1.00 41.41 O ATOM 1142 CB SER A 72 9.546 -9.972 13.794 1.00 43.34 C ATOM 1143 OG SER A 72 10.281 -9.961 15.011 1.00 73.02 O ATOM 0 H SER A 72 8.638 -7.429 13.765 1.00 34.53 H new ATOM 0 HA SER A 72 11.044 -8.824 12.739 1.00 53.44 H new ATOM 0 HB2 SER A 72 8.480 -9.905 14.009 1.00 43.34 H new ATOM 0 HB3 SER A 72 9.708 -10.917 13.276 1.00 43.34 H new ATOM 0 HG SER A 72 9.995 -10.711 15.573 1.00 73.02 H new ATOM 1149 N GLU A 73 9.918 -9.778 10.652 1.00 62.51 N ATOM 1150 CA GLU A 73 9.424 -10.017 9.287 1.00 44.31 C ATOM 1151 C GLU A 73 7.941 -10.418 9.272 1.00 44.21 C ATOM 1152 O GLU A 73 7.137 -9.804 8.568 1.00 63.13 O ATOM 1153 CB GLU A 73 10.266 -11.108 8.600 1.00 41.52 C ATOM 1154 CG GLU A 73 11.608 -10.623 8.049 1.00 42.53 C ATOM 1155 CD GLU A 73 12.453 -9.871 9.067 1.00 65.25 C ATOM 1156 OE1 GLU A 73 13.156 -10.521 9.868 1.00 3.42 O ATOM 1157 OE2 GLU A 73 12.435 -8.623 9.063 1.00 43.21 O ATOM 0 H GLU A 73 10.766 -10.296 10.882 1.00 62.51 H new ATOM 0 HA GLU A 73 9.520 -9.080 8.739 1.00 44.31 H new ATOM 0 HB2 GLU A 73 10.450 -11.910 9.314 1.00 41.52 H new ATOM 0 HB3 GLU A 73 9.686 -11.536 7.783 1.00 41.52 H new ATOM 0 HG2 GLU A 73 12.173 -11.481 7.685 1.00 42.53 H new ATOM 0 HG3 GLU A 73 11.426 -9.975 7.192 1.00 42.53 H new ATOM 1164 N SER A 74 7.585 -11.438 10.058 1.00 44.43 N ATOM 1165 CA SER A 74 6.194 -11.928 10.128 1.00 51.13 C ATOM 1166 C SER A 74 5.193 -10.782 10.334 1.00 62.13 C ATOM 1167 O SER A 74 4.118 -10.768 9.734 1.00 2.44 O ATOM 1168 CB SER A 74 6.039 -12.950 11.265 1.00 40.42 C ATOM 1169 OG SER A 74 6.876 -14.079 11.069 1.00 11.23 O ATOM 0 H SER A 74 8.237 -11.945 10.657 1.00 44.43 H new ATOM 0 HA SER A 74 5.975 -12.405 9.173 1.00 51.13 H new ATOM 0 HB2 SER A 74 6.282 -12.477 12.216 1.00 40.42 H new ATOM 0 HB3 SER A 74 5.000 -13.273 11.326 1.00 40.42 H new ATOM 0 HG SER A 74 6.755 -14.709 11.810 1.00 11.23 H new ATOM 1175 N GLU A 75 5.563 -9.811 11.169 1.00 51.33 N ATOM 1176 CA GLU A 75 4.691 -8.669 11.466 1.00 4.32 C ATOM 1177 C GLU A 75 4.485 -7.785 10.228 1.00 42.22 C ATOM 1178 O GLU A 75 3.352 -7.544 9.805 1.00 53.03 O ATOM 1179 CB GLU A 75 5.281 -7.828 12.606 1.00 14.35 C ATOM 1180 CG GLU A 75 5.560 -8.617 13.880 1.00 1.44 C ATOM 1181 CD GLU A 75 6.040 -7.734 15.025 1.00 50.32 C ATOM 1182 OE1 GLU A 75 7.042 -7.013 14.843 1.00 43.24 O ATOM 1183 OE2 GLU A 75 5.413 -7.753 16.106 1.00 3.13 O ATOM 0 H GLU A 75 6.461 -9.790 11.653 1.00 51.33 H new ATOM 0 HA GLU A 75 3.722 -9.065 11.771 1.00 4.32 H new ATOM 0 HB2 GLU A 75 6.209 -7.371 12.263 1.00 14.35 H new ATOM 0 HB3 GLU A 75 4.593 -7.015 12.838 1.00 14.35 H new ATOM 0 HG2 GLU A 75 4.653 -9.139 14.185 1.00 1.44 H new ATOM 0 HG3 GLU A 75 6.312 -9.378 13.674 1.00 1.44 H new ATOM 1190 N CYS A 76 5.586 -7.314 9.647 1.00 24.42 N ATOM 1191 CA CYS A 76 5.528 -6.432 8.472 1.00 21.43 C ATOM 1192 C CYS A 76 4.815 -7.111 7.297 1.00 2.20 C ATOM 1193 O CYS A 76 3.982 -6.499 6.624 1.00 20.52 O ATOM 1194 CB CYS A 76 6.935 -6.013 8.046 1.00 61.00 C ATOM 1195 SG CYS A 76 6.973 -4.727 6.777 1.00 60.21 S ATOM 0 H CYS A 76 6.531 -7.525 9.967 1.00 24.42 H new ATOM 0 HA CYS A 76 4.958 -5.547 8.755 1.00 21.43 H new ATOM 0 HB2 CYS A 76 7.477 -5.659 8.923 1.00 61.00 H new ATOM 0 HB3 CYS A 76 7.466 -6.890 7.675 1.00 61.00 H new ATOM 0 HG CYS A 76 8.103 -4.782 6.137 1.00 60.21 H new ATOM 1201 N LEU A 77 5.151 -8.381 7.053 1.00 74.35 N ATOM 1202 CA LEU A 77 4.481 -9.174 6.019 1.00 52.43 C ATOM 1203 C LEU A 77 2.971 -9.266 6.286 1.00 30.33 C ATOM 1204 O LEU A 77 2.159 -9.095 5.377 1.00 41.22 O ATOM 1205 CB LEU A 77 5.087 -10.586 5.947 1.00 32.11 C ATOM 1206 CG LEU A 77 6.574 -10.650 5.550 1.00 63.20 C ATOM 1207 CD1 LEU A 77 7.088 -12.088 5.602 1.00 33.32 C ATOM 1208 CD2 LEU A 77 6.791 -10.051 4.161 1.00 31.31 C ATOM 0 H LEU A 77 5.883 -8.882 7.557 1.00 74.35 H new ATOM 0 HA LEU A 77 4.632 -8.673 5.063 1.00 52.43 H new ATOM 0 HB2 LEU A 77 4.968 -11.064 6.919 1.00 32.11 H new ATOM 0 HB3 LEU A 77 4.512 -11.173 5.231 1.00 32.11 H new ATOM 0 HG LEU A 77 7.141 -10.059 6.269 1.00 63.20 H new ATOM 0 HD11 LEU A 77 8.140 -12.109 5.318 1.00 33.32 H new ATOM 0 HD12 LEU A 77 6.978 -12.477 6.614 1.00 33.32 H new ATOM 0 HD13 LEU A 77 6.513 -12.705 4.911 1.00 33.32 H new ATOM 0 HD21 LEU A 77 7.848 -10.107 3.902 1.00 31.31 H new ATOM 0 HD22 LEU A 77 6.208 -10.609 3.429 1.00 31.31 H new ATOM 0 HD23 LEU A 77 6.472 -9.009 4.160 1.00 31.31 H new ATOM 1220 N SER A 78 2.602 -9.516 7.545 1.00 15.50 N ATOM 1221 CA SER A 78 1.186 -9.628 7.930 1.00 1.21 C ATOM 1222 C SER A 78 0.420 -8.323 7.663 1.00 31.55 C ATOM 1223 O SER A 78 -0.718 -8.357 7.197 1.00 3.12 O ATOM 1224 CB SER A 78 1.046 -10.012 9.409 1.00 62.34 C ATOM 1225 OG SER A 78 -0.313 -10.254 9.755 1.00 45.22 O ATOM 0 H SER A 78 3.258 -9.645 8.315 1.00 15.50 H new ATOM 0 HA SER A 78 0.752 -10.415 7.314 1.00 1.21 H new ATOM 0 HB2 SER A 78 1.639 -10.903 9.613 1.00 62.34 H new ATOM 0 HB3 SER A 78 1.446 -9.213 10.034 1.00 62.34 H new ATOM 0 HG SER A 78 -0.371 -10.498 10.702 1.00 45.22 H new ATOM 1231 N ASN A 79 1.043 -7.176 7.960 1.00 33.11 N ATOM 1232 CA ASN A 79 0.434 -5.866 7.662 1.00 42.34 C ATOM 1233 C ASN A 79 0.037 -5.772 6.180 1.00 50.01 C ATOM 1234 O ASN A 79 -1.081 -5.379 5.838 1.00 21.11 O ATOM 1235 CB ASN A 79 1.401 -4.719 8.002 1.00 33.03 C ATOM 1236 CG ASN A 79 1.769 -4.667 9.471 1.00 55.12 C ATOM 1237 OD1 ASN A 79 1.021 -5.117 10.327 1.00 43.24 O ATOM 1238 ND2 ASN A 79 2.920 -4.098 9.778 1.00 33.54 N ATOM 0 H ASN A 79 1.961 -7.124 8.403 1.00 33.11 H new ATOM 0 HA ASN A 79 -0.460 -5.773 8.279 1.00 42.34 H new ATOM 0 HB2 ASN A 79 2.309 -4.830 7.410 1.00 33.03 H new ATOM 0 HB3 ASN A 79 0.946 -3.771 7.714 1.00 33.03 H new ATOM 0 HD21 ASN A 79 3.208 -4.024 10.754 1.00 33.54 H new ATOM 0 HD22 ASN A 79 3.521 -3.732 9.040 1.00 33.54 H new ATOM 1245 N ILE A 80 0.969 -6.149 5.308 1.00 30.31 N ATOM 1246 CA ILE A 80 0.728 -6.158 3.866 1.00 1.23 C ATOM 1247 C ILE A 80 -0.330 -7.209 3.486 1.00 23.13 C ATOM 1248 O ILE A 80 -1.216 -6.948 2.674 1.00 30.40 O ATOM 1249 CB ILE A 80 2.037 -6.439 3.086 1.00 42.41 C ATOM 1250 CG1 ILE A 80 3.129 -5.431 3.490 1.00 24.45 C ATOM 1251 CG2 ILE A 80 1.784 -6.387 1.581 1.00 12.32 C ATOM 1252 CD1 ILE A 80 4.469 -5.673 2.825 1.00 33.35 C ATOM 0 H ILE A 80 1.904 -6.454 5.577 1.00 30.31 H new ATOM 0 HA ILE A 80 0.357 -5.170 3.594 1.00 1.23 H new ATOM 0 HB ILE A 80 2.384 -7.441 3.339 1.00 42.41 H new ATOM 0 HG12 ILE A 80 2.789 -4.425 3.244 1.00 24.45 H new ATOM 0 HG13 ILE A 80 3.260 -5.467 4.571 1.00 24.45 H new ATOM 0 HG21 ILE A 80 2.714 -6.587 1.049 1.00 12.32 H new ATOM 0 HG22 ILE A 80 1.042 -7.139 1.311 1.00 12.32 H new ATOM 0 HG23 ILE A 80 1.415 -5.398 1.308 1.00 12.32 H new ATOM 0 HD11 ILE A 80 5.183 -4.922 3.162 1.00 33.35 H new ATOM 0 HD12 ILE A 80 4.834 -6.665 3.091 1.00 33.35 H new ATOM 0 HD13 ILE A 80 4.355 -5.607 1.743 1.00 33.35 H new ATOM 1264 N ARG A 81 -0.239 -8.393 4.095 1.00 31.13 N ATOM 1265 CA ARG A 81 -1.169 -9.496 3.802 1.00 21.24 C ATOM 1266 C ARG A 81 -2.615 -9.150 4.184 1.00 63.21 C ATOM 1267 O ARG A 81 -3.552 -9.589 3.524 1.00 60.50 O ATOM 1268 CB ARG A 81 -0.722 -10.789 4.503 1.00 32.01 C ATOM 1269 CG ARG A 81 0.604 -11.339 3.972 1.00 55.05 C ATOM 1270 CD ARG A 81 0.503 -11.771 2.505 1.00 15.52 C ATOM 1271 NE ARG A 81 -0.190 -13.051 2.347 1.00 45.03 N ATOM 1272 CZ ARG A 81 -1.129 -13.291 1.469 1.00 73.14 C ATOM 1273 NH1 ARG A 81 -1.570 -12.349 0.692 1.00 22.05 N ATOM 1274 NH2 ARG A 81 -1.625 -14.481 1.372 1.00 40.52 N ATOM 0 H ARG A 81 0.468 -8.617 4.795 1.00 31.13 H new ATOM 0 HA ARG A 81 -1.146 -9.655 2.724 1.00 21.24 H new ATOM 0 HB2 ARG A 81 -0.627 -10.600 5.572 1.00 32.01 H new ATOM 0 HB3 ARG A 81 -1.496 -11.546 4.381 1.00 32.01 H new ATOM 0 HG2 ARG A 81 1.378 -10.578 4.073 1.00 55.05 H new ATOM 0 HG3 ARG A 81 0.912 -12.190 4.580 1.00 55.05 H new ATOM 0 HD2 ARG A 81 -0.024 -11.003 1.938 1.00 15.52 H new ATOM 0 HD3 ARG A 81 1.505 -11.848 2.082 1.00 15.52 H new ATOM 0 HE ARG A 81 0.080 -13.813 2.969 1.00 45.03 H new ATOM 0 HH11 ARG A 81 -1.184 -11.408 0.762 1.00 22.05 H new ATOM 0 HH12 ARG A 81 -2.303 -12.550 0.012 1.00 22.05 H new ATOM 0 HH21 ARG A 81 -1.284 -15.227 1.978 1.00 40.52 H new ATOM 0 HH22 ARG A 81 -2.358 -14.674 0.689 1.00 40.52 H new ATOM 1288 N GLU A 82 -2.799 -8.366 5.246 1.00 25.43 N ATOM 1289 CA GLU A 82 -4.131 -7.856 5.602 1.00 54.52 C ATOM 1290 C GLU A 82 -4.695 -6.968 4.484 1.00 71.22 C ATOM 1291 O GLU A 82 -5.855 -7.110 4.085 1.00 20.04 O ATOM 1292 CB GLU A 82 -4.084 -7.072 6.921 1.00 30.45 C ATOM 1293 CG GLU A 82 -4.052 -7.950 8.168 1.00 15.12 C ATOM 1294 CD GLU A 82 -5.354 -8.713 8.386 1.00 42.05 C ATOM 1295 OE1 GLU A 82 -6.266 -8.174 9.054 1.00 62.32 O ATOM 1296 OE2 GLU A 82 -5.480 -9.853 7.893 1.00 11.42 O ATOM 0 H GLU A 82 -2.051 -8.070 5.873 1.00 25.43 H new ATOM 0 HA GLU A 82 -4.790 -8.715 5.731 1.00 54.52 H new ATOM 0 HB2 GLU A 82 -3.202 -6.431 6.919 1.00 30.45 H new ATOM 0 HB3 GLU A 82 -4.954 -6.417 6.973 1.00 30.45 H new ATOM 0 HG2 GLU A 82 -3.229 -8.660 8.086 1.00 15.12 H new ATOM 0 HG3 GLU A 82 -3.850 -7.328 9.040 1.00 15.12 H new ATOM 1303 N PHE A 83 -3.864 -6.056 3.982 1.00 35.31 N ATOM 1304 CA PHE A 83 -4.232 -5.207 2.841 1.00 34.23 C ATOM 1305 C PHE A 83 -4.612 -6.062 1.619 1.00 31.32 C ATOM 1306 O PHE A 83 -5.671 -5.875 1.013 1.00 32.11 O ATOM 1307 CB PHE A 83 -3.061 -4.272 2.497 1.00 2.34 C ATOM 1308 CG PHE A 83 -3.260 -3.459 1.238 1.00 72.45 C ATOM 1309 CD1 PHE A 83 -4.102 -2.355 1.231 1.00 65.34 C ATOM 1310 CD2 PHE A 83 -2.596 -3.796 0.065 1.00 3.32 C ATOM 1311 CE1 PHE A 83 -4.277 -1.609 0.080 1.00 75.53 C ATOM 1312 CE2 PHE A 83 -2.769 -3.052 -1.086 1.00 70.52 C ATOM 1313 CZ PHE A 83 -3.610 -1.957 -1.078 1.00 22.24 C ATOM 0 H PHE A 83 -2.927 -5.883 4.346 1.00 35.31 H new ATOM 0 HA PHE A 83 -5.102 -4.610 3.115 1.00 34.23 H new ATOM 0 HB2 PHE A 83 -2.898 -3.591 3.333 1.00 2.34 H new ATOM 0 HB3 PHE A 83 -2.155 -4.868 2.390 1.00 2.34 H new ATOM 0 HD1 PHE A 83 -4.625 -2.076 2.134 1.00 65.34 H new ATOM 0 HD2 PHE A 83 -1.936 -4.651 0.053 1.00 3.32 H new ATOM 0 HE1 PHE A 83 -4.936 -0.753 0.087 1.00 75.53 H new ATOM 0 HE2 PHE A 83 -2.247 -3.326 -1.991 1.00 70.52 H new ATOM 0 HZ PHE A 83 -3.746 -1.373 -1.976 1.00 22.24 H new ATOM 1323 N LEU A 84 -3.737 -7.006 1.278 1.00 52.41 N ATOM 1324 CA LEU A 84 -3.967 -7.927 0.156 1.00 54.31 C ATOM 1325 C LEU A 84 -5.250 -8.748 0.364 1.00 62.34 C ATOM 1326 O LEU A 84 -6.048 -8.923 -0.558 1.00 22.50 O ATOM 1327 CB LEU A 84 -2.762 -8.868 0.003 1.00 61.41 C ATOM 1328 CG LEU A 84 -1.401 -8.171 -0.171 1.00 73.04 C ATOM 1329 CD1 LEU A 84 -0.267 -9.193 -0.177 1.00 65.34 C ATOM 1330 CD2 LEU A 84 -1.382 -7.334 -1.449 1.00 43.34 C ATOM 0 H LEU A 84 -2.853 -7.157 1.765 1.00 52.41 H new ATOM 0 HA LEU A 84 -4.088 -7.336 -0.752 1.00 54.31 H new ATOM 0 HB2 LEU A 84 -2.712 -9.513 0.880 1.00 61.41 H new ATOM 0 HB3 LEU A 84 -2.933 -9.514 -0.858 1.00 61.41 H new ATOM 0 HG LEU A 84 -1.251 -7.502 0.676 1.00 73.04 H new ATOM 0 HD11 LEU A 84 0.686 -8.678 -0.301 1.00 65.34 H new ATOM 0 HD12 LEU A 84 -0.264 -9.739 0.766 1.00 65.34 H new ATOM 0 HD13 LEU A 84 -0.412 -9.892 -1.001 1.00 65.34 H new ATOM 0 HD21 LEU A 84 -0.411 -6.850 -1.553 1.00 43.34 H new ATOM 0 HD22 LEU A 84 -1.559 -7.979 -2.309 1.00 43.34 H new ATOM 0 HD23 LEU A 84 -2.162 -6.575 -1.398 1.00 43.34 H new ATOM 1342 N ARG A 85 -5.444 -9.234 1.592 1.00 0.24 N ATOM 1343 CA ARG A 85 -6.623 -10.032 1.941 1.00 11.20 C ATOM 1344 C ARG A 85 -7.911 -9.218 1.759 1.00 62.05 C ATOM 1345 O ARG A 85 -8.902 -9.713 1.226 1.00 45.32 O ATOM 1346 CB ARG A 85 -6.513 -10.539 3.391 1.00 51.44 C ATOM 1347 CG ARG A 85 -7.618 -11.517 3.782 1.00 32.13 C ATOM 1348 CD ARG A 85 -7.385 -12.153 5.150 1.00 13.50 C ATOM 1349 NE ARG A 85 -7.384 -11.176 6.241 1.00 4.42 N ATOM 1350 CZ ARG A 85 -8.394 -10.975 7.048 1.00 22.54 C ATOM 1351 NH1 ARG A 85 -9.533 -11.560 6.848 1.00 63.34 N ATOM 1352 NH2 ARG A 85 -8.262 -10.166 8.048 1.00 12.11 N ATOM 0 H ARG A 85 -4.796 -9.088 2.366 1.00 0.24 H new ATOM 0 HA ARG A 85 -6.665 -10.889 1.269 1.00 11.20 H new ATOM 0 HB2 ARG A 85 -5.546 -11.024 3.525 1.00 51.44 H new ATOM 0 HB3 ARG A 85 -6.538 -9.685 4.068 1.00 51.44 H new ATOM 0 HG2 ARG A 85 -8.575 -10.995 3.787 1.00 32.13 H new ATOM 0 HG3 ARG A 85 -7.687 -12.301 3.028 1.00 32.13 H new ATOM 0 HD2 ARG A 85 -8.160 -12.897 5.336 1.00 13.50 H new ATOM 0 HD3 ARG A 85 -6.432 -12.681 5.142 1.00 13.50 H new ATOM 0 HE ARG A 85 -6.542 -10.617 6.381 1.00 4.42 H new ATOM 0 HH11 ARG A 85 -9.651 -12.187 6.052 1.00 63.34 H new ATOM 0 HH12 ARG A 85 -10.311 -11.393 7.486 1.00 63.34 H new ATOM 0 HH21 ARG A 85 -7.374 -9.689 8.204 1.00 12.11 H new ATOM 0 HH22 ARG A 85 -9.046 -10.005 8.681 1.00 12.11 H new ATOM 1366 N GLY A 86 -7.883 -7.960 2.194 1.00 65.34 N ATOM 1367 CA GLY A 86 -9.039 -7.085 2.046 1.00 33.14 C ATOM 1368 C GLY A 86 -9.376 -6.780 0.589 1.00 42.51 C ATOM 1369 O GLY A 86 -10.514 -6.971 0.150 1.00 11.31 O ATOM 0 H GLY A 86 -7.078 -7.528 2.648 1.00 65.34 H new ATOM 0 HA2 GLY A 86 -9.902 -7.549 2.523 1.00 33.14 H new ATOM 0 HA3 GLY A 86 -8.849 -6.150 2.572 1.00 33.14 H new ATOM 1373 N CYS A 87 -8.381 -6.314 -0.165 1.00 53.01 N ATOM 1374 CA CYS A 87 -8.559 -6.021 -1.594 1.00 71.30 C ATOM 1375 C CYS A 87 -8.957 -7.278 -2.385 1.00 73.13 C ATOM 1376 O CYS A 87 -9.684 -7.195 -3.378 1.00 43.42 O ATOM 1377 CB CYS A 87 -7.275 -5.421 -2.181 1.00 51.12 C ATOM 1378 SG CYS A 87 -6.789 -3.846 -1.432 1.00 43.12 S ATOM 0 H CYS A 87 -7.441 -6.130 0.187 1.00 53.01 H new ATOM 0 HA CYS A 87 -9.369 -5.296 -1.681 1.00 71.30 H new ATOM 0 HB2 CYS A 87 -6.462 -6.137 -2.057 1.00 51.12 H new ATOM 0 HB3 CYS A 87 -7.411 -5.275 -3.253 1.00 51.12 H new ATOM 0 HG CYS A 87 -5.517 -3.652 -1.616 1.00 43.12 H new ATOM 1384 N GLY A 88 -8.482 -8.439 -1.935 1.00 61.31 N ATOM 1385 CA GLY A 88 -8.833 -9.708 -2.569 1.00 31.14 C ATOM 1386 C GLY A 88 -10.188 -10.266 -2.123 1.00 23.11 C ATOM 1387 O GLY A 88 -10.825 -11.024 -2.855 1.00 32.11 O ATOM 0 H GLY A 88 -7.855 -8.526 -1.136 1.00 61.31 H new ATOM 0 HA2 GLY A 88 -8.844 -9.573 -3.651 1.00 31.14 H new ATOM 0 HA3 GLY A 88 -8.058 -10.441 -2.347 1.00 31.14 H new ATOM 1391 N ALA A 89 -10.633 -9.897 -0.920 1.00 60.21 N ATOM 1392 CA ALA A 89 -11.916 -10.377 -0.385 1.00 34.34 C ATOM 1393 C ALA A 89 -13.105 -9.547 -0.895 1.00 55.14 C ATOM 1394 O ALA A 89 -14.060 -10.083 -1.460 1.00 60.12 O ATOM 1395 CB ALA A 89 -11.890 -10.370 1.142 1.00 71.22 C ATOM 0 H ALA A 89 -10.127 -9.268 -0.296 1.00 60.21 H new ATOM 0 HA ALA A 89 -12.052 -11.398 -0.742 1.00 34.34 H new ATOM 0 HB1 ALA A 89 -12.846 -10.728 1.524 1.00 71.22 H new ATOM 0 HB2 ALA A 89 -11.091 -11.022 1.495 1.00 71.22 H new ATOM 0 HB3 ALA A 89 -11.714 -9.355 1.498 1.00 71.22 H new ATOM 1401 N SER A 90 -13.043 -8.232 -0.685 1.00 70.33 N ATOM 1402 CA SER A 90 -14.138 -7.334 -1.086 1.00 20.13 C ATOM 1403 C SER A 90 -14.114 -7.042 -2.593 1.00 45.10 C ATOM 1404 O SER A 90 -15.057 -7.371 -3.315 1.00 43.14 O ATOM 1405 CB SER A 90 -14.071 -6.015 -0.301 1.00 41.32 C ATOM 1406 OG SER A 90 -15.126 -5.139 -0.674 1.00 12.41 O ATOM 0 H SER A 90 -12.253 -7.762 -0.242 1.00 70.33 H new ATOM 0 HA SER A 90 -15.073 -7.845 -0.855 1.00 20.13 H new ATOM 0 HB2 SER A 90 -14.128 -6.222 0.768 1.00 41.32 H new ATOM 0 HB3 SER A 90 -13.112 -5.530 -0.481 1.00 41.32 H new ATOM 0 HG SER A 90 -15.158 -4.382 -0.053 1.00 12.41 H new ATOM 1412 N LEU A 91 -13.028 -6.434 -3.065 1.00 44.10 N ATOM 1413 CA LEU A 91 -12.893 -6.057 -4.481 1.00 0.10 C ATOM 1414 C LEU A 91 -12.450 -7.238 -5.365 1.00 11.53 C ATOM 1415 O LEU A 91 -12.817 -7.314 -6.540 1.00 44.34 O ATOM 1416 CB LEU A 91 -11.890 -4.899 -4.600 1.00 60.00 C ATOM 1417 CG LEU A 91 -12.409 -3.537 -4.104 1.00 65.22 C ATOM 1418 CD1 LEU A 91 -11.255 -2.567 -3.849 1.00 2.21 C ATOM 1419 CD2 LEU A 91 -13.385 -2.943 -5.118 1.00 53.23 C ATOM 0 H LEU A 91 -12.222 -6.189 -2.489 1.00 44.10 H new ATOM 0 HA LEU A 91 -13.874 -5.746 -4.840 1.00 0.10 H new ATOM 0 HB2 LEU A 91 -10.992 -5.156 -4.037 1.00 60.00 H new ATOM 0 HB3 LEU A 91 -11.594 -4.800 -5.644 1.00 60.00 H new ATOM 0 HG LEU A 91 -12.931 -3.697 -3.160 1.00 65.22 H new ATOM 0 HD11 LEU A 91 -11.651 -1.614 -3.500 1.00 2.21 H new ATOM 0 HD12 LEU A 91 -10.591 -2.983 -3.092 1.00 2.21 H new ATOM 0 HD13 LEU A 91 -10.699 -2.412 -4.774 1.00 2.21 H new ATOM 0 HD21 LEU A 91 -13.745 -1.980 -4.756 1.00 53.23 H new ATOM 0 HD22 LEU A 91 -12.878 -2.805 -6.073 1.00 53.23 H new ATOM 0 HD23 LEU A 91 -14.229 -3.620 -5.250 1.00 53.23 H new ATOM 1431 N ARG A 92 -11.662 -8.146 -4.789 1.00 73.44 N ATOM 1432 CA ARG A 92 -11.118 -9.305 -5.521 1.00 31.41 C ATOM 1433 C ARG A 92 -10.216 -8.854 -6.690 1.00 62.34 C ATOM 1434 O ARG A 92 -10.084 -9.545 -7.703 1.00 75.13 O ATOM 1435 CB ARG A 92 -12.259 -10.208 -6.028 1.00 31.12 C ATOM 1436 CG ARG A 92 -11.789 -11.567 -6.549 1.00 55.42 C ATOM 1437 CD ARG A 92 -12.926 -12.365 -7.171 1.00 21.33 C ATOM 1438 NE ARG A 92 -12.474 -13.651 -7.701 1.00 10.10 N ATOM 1439 CZ ARG A 92 -13.004 -14.245 -8.734 1.00 22.21 C ATOM 1440 NH1 ARG A 92 -14.004 -13.714 -9.359 1.00 33.21 N ATOM 1441 NH2 ARG A 92 -12.533 -15.378 -9.141 1.00 43.43 N ATOM 0 H ARG A 92 -11.381 -8.106 -3.809 1.00 73.44 H new ATOM 0 HA ARG A 92 -10.503 -9.881 -4.830 1.00 31.41 H new ATOM 0 HB2 ARG A 92 -12.971 -10.367 -5.218 1.00 31.12 H new ATOM 0 HB3 ARG A 92 -12.793 -9.689 -6.824 1.00 31.12 H new ATOM 0 HG2 ARG A 92 -11.003 -11.419 -7.289 1.00 55.42 H new ATOM 0 HG3 ARG A 92 -11.352 -12.138 -5.730 1.00 55.42 H new ATOM 0 HD2 ARG A 92 -13.700 -12.534 -6.423 1.00 21.33 H new ATOM 0 HD3 ARG A 92 -13.380 -11.783 -7.973 1.00 21.33 H new ATOM 0 HE ARG A 92 -11.694 -14.113 -7.233 1.00 10.10 H new ATOM 0 HH11 ARG A 92 -14.386 -12.822 -9.045 1.00 33.21 H new ATOM 0 HH12 ARG A 92 -14.411 -14.187 -10.166 1.00 33.21 H new ATOM 0 HH21 ARG A 92 -11.746 -15.808 -8.654 1.00 43.43 H new ATOM 0 HH22 ARG A 92 -12.948 -15.842 -9.949 1.00 43.43 H new ATOM 1455 N LEU A 93 -9.572 -7.700 -6.533 1.00 41.12 N ATOM 1456 CA LEU A 93 -8.708 -7.146 -7.584 1.00 21.03 C ATOM 1457 C LEU A 93 -7.331 -7.835 -7.620 1.00 21.12 C ATOM 1458 O LEU A 93 -6.986 -8.618 -6.732 1.00 41.45 O ATOM 1459 CB LEU A 93 -8.571 -5.619 -7.401 1.00 22.25 C ATOM 1460 CG LEU A 93 -8.055 -5.131 -6.027 1.00 62.13 C ATOM 1461 CD1 LEU A 93 -6.538 -5.251 -5.917 1.00 24.25 C ATOM 1462 CD2 LEU A 93 -8.490 -3.693 -5.769 1.00 63.44 C ATOM 0 H LEU A 93 -9.629 -7.127 -5.691 1.00 41.12 H new ATOM 0 HA LEU A 93 -9.177 -7.342 -8.548 1.00 21.03 H new ATOM 0 HB2 LEU A 93 -7.898 -5.242 -8.171 1.00 22.25 H new ATOM 0 HB3 LEU A 93 -9.546 -5.165 -7.580 1.00 22.25 H new ATOM 0 HG LEU A 93 -8.496 -5.776 -5.267 1.00 62.13 H new ATOM 0 HD11 LEU A 93 -6.215 -4.898 -4.937 1.00 24.25 H new ATOM 0 HD12 LEU A 93 -6.245 -6.294 -6.042 1.00 24.25 H new ATOM 0 HD13 LEU A 93 -6.068 -4.647 -6.693 1.00 24.25 H new ATOM 0 HD21 LEU A 93 -8.117 -3.369 -4.797 1.00 63.44 H new ATOM 0 HD22 LEU A 93 -8.086 -3.046 -6.547 1.00 63.44 H new ATOM 0 HD23 LEU A 93 -9.578 -3.635 -5.777 1.00 63.44 H new ATOM 1474 N GLU A 94 -6.555 -7.544 -8.659 1.00 62.30 N ATOM 1475 CA GLU A 94 -5.217 -8.124 -8.821 1.00 51.14 C ATOM 1476 C GLU A 94 -4.235 -7.569 -7.773 1.00 41.42 C ATOM 1477 O GLU A 94 -3.967 -6.366 -7.734 1.00 2.13 O ATOM 1478 CB GLU A 94 -4.714 -7.837 -10.242 1.00 70.20 C ATOM 1479 CG GLU A 94 -5.600 -8.443 -11.327 1.00 64.11 C ATOM 1480 CD GLU A 94 -5.291 -7.901 -12.711 1.00 25.03 C ATOM 1481 OE1 GLU A 94 -4.357 -8.408 -13.362 1.00 51.40 O ATOM 1482 OE2 GLU A 94 -5.988 -6.963 -13.154 1.00 72.44 O ATOM 0 H GLU A 94 -6.827 -6.907 -9.408 1.00 62.30 H new ATOM 0 HA GLU A 94 -5.278 -9.201 -8.667 1.00 51.14 H new ATOM 0 HB2 GLU A 94 -4.656 -6.759 -10.389 1.00 70.20 H new ATOM 0 HB3 GLU A 94 -3.702 -8.228 -10.348 1.00 70.20 H new ATOM 0 HG2 GLU A 94 -5.474 -9.526 -11.330 1.00 64.11 H new ATOM 0 HG3 GLU A 94 -6.645 -8.244 -11.089 1.00 64.11 H new ATOM 1489 N THR A 95 -3.709 -8.450 -6.921 1.00 62.54 N ATOM 1490 CA THR A 95 -2.829 -8.037 -5.816 1.00 42.02 C ATOM 1491 C THR A 95 -1.377 -8.496 -6.017 1.00 61.24 C ATOM 1492 O THR A 95 -1.074 -9.285 -6.913 1.00 2.03 O ATOM 1493 CB THR A 95 -3.324 -8.599 -4.458 1.00 31.31 C ATOM 1494 OG1 THR A 95 -3.228 -10.034 -4.445 1.00 31.21 O ATOM 1495 CG2 THR A 95 -4.764 -8.180 -4.177 1.00 5.31 C ATOM 0 H THR A 95 -3.874 -9.455 -6.971 1.00 62.54 H new ATOM 0 HA THR A 95 -2.862 -6.948 -5.809 1.00 42.02 H new ATOM 0 HB THR A 95 -2.686 -8.186 -3.677 1.00 31.31 H new ATOM 0 HG1 THR A 95 -3.542 -10.375 -3.582 1.00 31.21 H new ATOM 0 HG21 THR A 95 -5.082 -8.590 -3.218 1.00 5.31 H new ATOM 0 HG22 THR A 95 -4.827 -7.092 -4.146 1.00 5.31 H new ATOM 0 HG23 THR A 95 -5.414 -8.558 -4.966 1.00 5.31 H new ATOM 1503 N PHE A 96 -0.488 -7.988 -5.167 1.00 3.54 N ATOM 1504 CA PHE A 96 0.924 -8.394 -5.147 1.00 63.24 C ATOM 1505 C PHE A 96 1.216 -9.276 -3.920 1.00 5.43 C ATOM 1506 O PHE A 96 0.311 -9.572 -3.137 1.00 53.13 O ATOM 1507 CB PHE A 96 1.828 -7.152 -5.138 1.00 74.22 C ATOM 1508 CG PHE A 96 1.573 -6.212 -3.980 1.00 21.11 C ATOM 1509 CD1 PHE A 96 0.554 -5.268 -4.044 1.00 34.14 C ATOM 1510 CD2 PHE A 96 2.346 -6.273 -2.830 1.00 24.22 C ATOM 1511 CE1 PHE A 96 0.319 -4.406 -2.990 1.00 2.12 C ATOM 1512 CE2 PHE A 96 2.113 -5.414 -1.773 1.00 33.24 C ATOM 1513 CZ PHE A 96 1.098 -4.480 -1.852 1.00 52.20 C ATOM 0 H PHE A 96 -0.722 -7.282 -4.469 1.00 3.54 H new ATOM 0 HA PHE A 96 1.132 -8.976 -6.045 1.00 63.24 H new ATOM 0 HB2 PHE A 96 2.869 -7.474 -5.109 1.00 74.22 H new ATOM 0 HB3 PHE A 96 1.689 -6.607 -6.072 1.00 74.22 H new ATOM 0 HD1 PHE A 96 -0.062 -5.208 -4.929 1.00 34.14 H new ATOM 0 HD2 PHE A 96 3.140 -7.001 -2.760 1.00 24.22 H new ATOM 0 HE1 PHE A 96 -0.473 -3.675 -3.056 1.00 2.12 H new ATOM 0 HE2 PHE A 96 2.725 -5.473 -0.885 1.00 33.24 H new ATOM 0 HZ PHE A 96 0.914 -3.809 -1.026 1.00 52.20 H new ATOM 1523 N ASP A 97 2.466 -9.707 -3.757 1.00 21.41 N ATOM 1524 CA ASP A 97 2.852 -10.514 -2.593 1.00 32.04 C ATOM 1525 C ASP A 97 3.642 -9.674 -1.579 1.00 2.23 C ATOM 1526 O ASP A 97 4.444 -8.824 -1.951 1.00 10.24 O ATOM 1527 CB ASP A 97 3.690 -11.723 -3.024 1.00 24.32 C ATOM 1528 CG ASP A 97 2.966 -12.609 -4.021 1.00 1.21 C ATOM 1529 OD1 ASP A 97 1.981 -13.267 -3.633 1.00 34.21 O ATOM 1530 OD2 ASP A 97 3.390 -12.662 -5.197 1.00 4.13 O ATOM 0 H ASP A 97 3.226 -9.514 -4.409 1.00 21.41 H new ATOM 0 HA ASP A 97 1.936 -10.867 -2.119 1.00 32.04 H new ATOM 0 HB2 ASP A 97 4.624 -11.375 -3.465 1.00 24.32 H new ATOM 0 HB3 ASP A 97 3.952 -12.311 -2.144 1.00 24.32 H new ATOM 1535 N ALA A 98 3.428 -9.935 -0.294 1.00 4.34 N ATOM 1536 CA ALA A 98 4.102 -9.183 0.772 1.00 24.30 C ATOM 1537 C ALA A 98 5.635 -9.191 0.614 1.00 50.25 C ATOM 1538 O ALA A 98 6.315 -8.252 1.027 1.00 31.44 O ATOM 1539 CB ALA A 98 3.709 -9.745 2.135 1.00 21.14 C ATOM 0 H ALA A 98 2.794 -10.661 0.040 1.00 4.34 H new ATOM 0 HA ALA A 98 3.776 -8.146 0.696 1.00 24.30 H new ATOM 0 HB1 ALA A 98 4.213 -9.182 2.920 1.00 21.14 H new ATOM 0 HB2 ALA A 98 2.630 -9.663 2.265 1.00 21.14 H new ATOM 0 HB3 ALA A 98 4.003 -10.793 2.195 1.00 21.14 H new ATOM 1545 N ASN A 99 6.169 -10.246 0.001 1.00 30.31 N ATOM 1546 CA ASN A 99 7.620 -10.405 -0.138 1.00 5.01 C ATOM 1547 C ASN A 99 8.232 -9.418 -1.151 1.00 33.41 C ATOM 1548 O ASN A 99 9.268 -8.808 -0.871 1.00 14.22 O ATOM 1549 CB ASN A 99 7.965 -11.845 -0.536 1.00 1.01 C ATOM 1550 CG ASN A 99 7.523 -12.850 0.512 1.00 74.31 C ATOM 1551 OD1 ASN A 99 7.445 -12.539 1.694 1.00 55.52 O ATOM 1552 ND2 ASN A 99 7.242 -14.065 0.095 1.00 34.42 N ATOM 0 H ASN A 99 5.622 -11.004 -0.408 1.00 30.31 H new ATOM 0 HA ASN A 99 8.055 -10.180 0.836 1.00 5.01 H new ATOM 0 HB2 ASN A 99 7.489 -12.081 -1.488 1.00 1.01 H new ATOM 0 HB3 ASN A 99 9.041 -11.930 -0.688 1.00 1.01 H new ATOM 0 HD21 ASN A 99 6.950 -14.779 0.763 1.00 34.42 H new ATOM 0 HD22 ASN A 99 7.316 -14.294 -0.896 1.00 34.42 H new ATOM 1559 N ASP A 100 7.605 -9.248 -2.319 1.00 3.13 N ATOM 1560 CA ASP A 100 8.178 -8.386 -3.362 1.00 73.11 C ATOM 1561 C ASP A 100 8.215 -6.910 -2.927 1.00 24.32 C ATOM 1562 O ASP A 100 9.165 -6.190 -3.238 1.00 65.32 O ATOM 1563 CB ASP A 100 7.449 -8.560 -4.712 1.00 45.20 C ATOM 1564 CG ASP A 100 5.933 -8.490 -4.617 1.00 1.21 C ATOM 1565 OD1 ASP A 100 5.405 -7.420 -4.274 1.00 12.03 O ATOM 1566 OD2 ASP A 100 5.266 -9.512 -4.916 1.00 73.33 O ATOM 0 H ASP A 100 6.717 -9.686 -2.565 1.00 3.13 H new ATOM 0 HA ASP A 100 9.210 -8.706 -3.507 1.00 73.11 H new ATOM 0 HB2 ASP A 100 7.794 -7.789 -5.400 1.00 45.20 H new ATOM 0 HB3 ASP A 100 7.731 -9.521 -5.143 1.00 45.20 H new ATOM 1571 N LEU A 101 7.201 -6.469 -2.189 1.00 10.32 N ATOM 1572 CA LEU A 101 7.185 -5.104 -1.646 1.00 55.31 C ATOM 1573 C LEU A 101 8.165 -4.944 -0.470 1.00 4.41 C ATOM 1574 O LEU A 101 9.009 -4.044 -0.472 1.00 41.12 O ATOM 1575 CB LEU A 101 5.770 -4.719 -1.196 1.00 3.13 C ATOM 1576 CG LEU A 101 5.638 -3.314 -0.571 1.00 52.42 C ATOM 1577 CD1 LEU A 101 6.075 -2.231 -1.557 1.00 63.50 C ATOM 1578 CD2 LEU A 101 4.208 -3.067 -0.099 1.00 44.25 C ATOM 0 H LEU A 101 6.382 -7.029 -1.951 1.00 10.32 H new ATOM 0 HA LEU A 101 7.505 -4.436 -2.446 1.00 55.31 H new ATOM 0 HB2 LEU A 101 5.103 -4.780 -2.056 1.00 3.13 H new ATOM 0 HB3 LEU A 101 5.424 -5.456 -0.471 1.00 3.13 H new ATOM 0 HG LEU A 101 6.299 -3.267 0.295 1.00 52.42 H new ATOM 0 HD11 LEU A 101 5.972 -1.251 -1.091 1.00 63.50 H new ATOM 0 HD12 LEU A 101 7.116 -2.392 -1.836 1.00 63.50 H new ATOM 0 HD13 LEU A 101 5.449 -2.276 -2.448 1.00 63.50 H new ATOM 0 HD21 LEU A 101 4.136 -2.071 0.338 1.00 44.25 H new ATOM 0 HD22 LEU A 101 3.527 -3.141 -0.947 1.00 44.25 H new ATOM 0 HD23 LEU A 101 3.938 -3.812 0.649 1.00 44.25 H new ATOM 1590 N TYR A 102 8.065 -5.834 0.519 1.00 72.34 N ATOM 1591 CA TYR A 102 8.887 -5.743 1.736 1.00 30.41 C ATOM 1592 C TYR A 102 10.391 -5.858 1.426 1.00 50.25 C ATOM 1593 O TYR A 102 11.221 -5.230 2.088 1.00 73.34 O ATOM 1594 CB TYR A 102 8.464 -6.832 2.735 1.00 53.14 C ATOM 1595 CG TYR A 102 9.119 -6.734 4.106 1.00 30.52 C ATOM 1596 CD1 TYR A 102 9.327 -5.503 4.717 1.00 44.02 C ATOM 1597 CD2 TYR A 102 9.510 -7.877 4.797 1.00 35.11 C ATOM 1598 CE1 TYR A 102 9.900 -5.412 5.972 1.00 2.34 C ATOM 1599 CE2 TYR A 102 10.085 -7.793 6.051 1.00 1.03 C ATOM 1600 CZ TYR A 102 10.280 -6.560 6.635 1.00 31.24 C ATOM 1601 OH TYR A 102 10.839 -6.476 7.892 1.00 3.22 O ATOM 0 H TYR A 102 7.424 -6.627 0.505 1.00 72.34 H new ATOM 0 HA TYR A 102 8.721 -4.760 2.176 1.00 30.41 H new ATOM 0 HB2 TYR A 102 7.382 -6.788 2.861 1.00 53.14 H new ATOM 0 HB3 TYR A 102 8.696 -7.807 2.307 1.00 53.14 H new ATOM 0 HD1 TYR A 102 9.035 -4.600 4.201 1.00 44.02 H new ATOM 0 HD2 TYR A 102 9.361 -8.847 4.345 1.00 35.11 H new ATOM 0 HE1 TYR A 102 10.049 -4.446 6.431 1.00 2.34 H new ATOM 0 HE2 TYR A 102 10.381 -8.692 6.572 1.00 1.03 H new ATOM 0 HH TYR A 102 11.330 -7.301 8.088 1.00 3.22 H new ATOM 1611 N GLN A 103 10.742 -6.669 0.428 1.00 32.23 N ATOM 1612 CA GLN A 103 12.151 -6.846 0.035 1.00 11.12 C ATOM 1613 C GLN A 103 12.566 -5.870 -1.084 1.00 24.34 C ATOM 1614 O GLN A 103 13.756 -5.617 -1.288 1.00 41.51 O ATOM 1615 CB GLN A 103 12.400 -8.299 -0.404 1.00 2.10 C ATOM 1616 CG GLN A 103 12.131 -9.329 0.693 1.00 42.31 C ATOM 1617 CD GLN A 103 13.007 -9.131 1.921 1.00 44.03 C ATOM 1618 OE1 GLN A 103 14.132 -8.651 1.830 1.00 63.04 O ATOM 1619 NE2 GLN A 103 12.502 -9.506 3.078 1.00 14.41 N ATOM 0 H GLN A 103 10.079 -7.213 -0.124 1.00 32.23 H new ATOM 0 HA GLN A 103 12.766 -6.622 0.907 1.00 11.12 H new ATOM 0 HB2 GLN A 103 11.767 -8.523 -1.263 1.00 2.10 H new ATOM 0 HB3 GLN A 103 13.434 -8.397 -0.736 1.00 2.10 H new ATOM 0 HG2 GLN A 103 11.083 -9.273 0.988 1.00 42.31 H new ATOM 0 HG3 GLN A 103 12.296 -10.329 0.293 1.00 42.31 H new ATOM 0 HE21 GLN A 103 11.563 -9.902 3.120 1.00 14.41 H new ATOM 0 HE22 GLN A 103 13.050 -9.401 3.932 1.00 14.41 H new ATOM 1628 N GLY A 104 11.587 -5.316 -1.797 1.00 14.51 N ATOM 1629 CA GLY A 104 11.879 -4.360 -2.866 1.00 65.45 C ATOM 1630 C GLY A 104 12.247 -5.017 -4.196 1.00 24.53 C ATOM 1631 O GLY A 104 13.149 -4.554 -4.900 1.00 21.14 O ATOM 0 H GLY A 104 10.595 -5.509 -1.657 1.00 14.51 H new ATOM 0 HA2 GLY A 104 11.010 -3.720 -3.016 1.00 65.45 H new ATOM 0 HA3 GLY A 104 12.699 -3.715 -2.550 1.00 65.45 H new ATOM 1635 N GLN A 105 11.543 -6.090 -4.549 1.00 73.23 N ATOM 1636 CA GLN A 105 11.795 -6.808 -5.805 1.00 32.40 C ATOM 1637 C GLN A 105 10.861 -6.326 -6.932 1.00 74.45 C ATOM 1638 O GLN A 105 11.221 -5.447 -7.718 1.00 32.21 O ATOM 1639 CB GLN A 105 11.635 -8.322 -5.589 1.00 60.22 C ATOM 1640 CG GLN A 105 12.544 -8.888 -4.503 1.00 3.24 C ATOM 1641 CD GLN A 105 14.017 -8.649 -4.790 1.00 24.43 C ATOM 1642 OE1 GLN A 105 14.584 -7.638 -4.393 1.00 24.23 O ATOM 1643 NE2 GLN A 105 14.648 -9.573 -5.481 1.00 60.25 N ATOM 0 H GLN A 105 10.791 -6.485 -3.984 1.00 73.23 H new ATOM 0 HA GLN A 105 12.819 -6.596 -6.112 1.00 32.40 H new ATOM 0 HB2 GLN A 105 10.598 -8.535 -5.329 1.00 60.22 H new ATOM 0 HB3 GLN A 105 11.841 -8.837 -6.527 1.00 60.22 H new ATOM 0 HG2 GLN A 105 12.286 -8.435 -3.546 1.00 3.24 H new ATOM 0 HG3 GLN A 105 12.366 -9.959 -4.407 1.00 3.24 H new ATOM 0 HE21 GLN A 105 14.148 -10.404 -5.797 1.00 60.25 H new ATOM 0 HE22 GLN A 105 15.638 -9.459 -5.700 1.00 60.25 H new ATOM 1652 N ASN A 106 9.653 -6.884 -6.997 1.00 60.05 N ATOM 1653 CA ASN A 106 8.703 -6.543 -8.061 1.00 42.14 C ATOM 1654 C ASN A 106 7.797 -5.367 -7.660 1.00 13.12 C ATOM 1655 O ASN A 106 6.648 -5.564 -7.260 1.00 31.13 O ATOM 1656 CB ASN A 106 7.828 -7.751 -8.411 1.00 52.21 C ATOM 1657 CG ASN A 106 8.607 -8.954 -8.903 1.00 74.30 C ATOM 1658 OD1 ASN A 106 9.742 -9.194 -8.505 1.00 11.32 O ATOM 1659 ND2 ASN A 106 7.995 -9.721 -9.783 1.00 42.04 N ATOM 0 H ASN A 106 9.307 -7.573 -6.329 1.00 60.05 H new ATOM 0 HA ASN A 106 9.291 -6.249 -8.930 1.00 42.14 H new ATOM 0 HB2 ASN A 106 7.254 -8.038 -7.530 1.00 52.21 H new ATOM 0 HB3 ASN A 106 7.111 -7.457 -9.177 1.00 52.21 H new ATOM 0 HD21 ASN A 106 8.466 -10.545 -10.156 1.00 42.04 H new ATOM 0 HD22 ASN A 106 7.050 -9.490 -10.091 1.00 42.04 H new ATOM 1666 N PHE A 107 8.309 -4.144 -7.763 1.00 52.20 N ATOM 1667 CA PHE A 107 7.501 -2.965 -7.437 1.00 1.45 C ATOM 1668 C PHE A 107 6.362 -2.768 -8.453 1.00 51.13 C ATOM 1669 O PHE A 107 5.313 -2.216 -8.121 1.00 51.10 O ATOM 1670 CB PHE A 107 8.364 -1.700 -7.362 1.00 22.45 C ATOM 1671 CG PHE A 107 7.567 -0.480 -6.971 1.00 3.12 C ATOM 1672 CD1 PHE A 107 7.173 -0.289 -5.654 1.00 24.12 C ATOM 1673 CD2 PHE A 107 7.183 0.459 -7.921 1.00 43.51 C ATOM 1674 CE1 PHE A 107 6.415 0.808 -5.294 1.00 62.41 C ATOM 1675 CE2 PHE A 107 6.429 1.560 -7.562 1.00 5.55 C ATOM 1676 CZ PHE A 107 6.044 1.733 -6.249 1.00 52.14 C ATOM 0 H PHE A 107 9.262 -3.941 -8.064 1.00 52.20 H new ATOM 0 HA PHE A 107 7.061 -3.140 -6.455 1.00 1.45 H new ATOM 0 HB2 PHE A 107 9.166 -1.853 -6.640 1.00 22.45 H new ATOM 0 HB3 PHE A 107 8.835 -1.528 -8.330 1.00 22.45 H new ATOM 0 HD1 PHE A 107 7.463 -1.007 -4.901 1.00 24.12 H new ATOM 0 HD2 PHE A 107 7.477 0.327 -8.952 1.00 43.51 H new ATOM 0 HE1 PHE A 107 6.113 0.942 -4.266 1.00 62.41 H new ATOM 0 HE2 PHE A 107 6.141 2.285 -8.309 1.00 5.55 H new ATOM 0 HZ PHE A 107 5.452 2.592 -5.968 1.00 52.14 H new ATOM 1686 N ASN A 108 6.569 -3.232 -9.685 1.00 60.01 N ATOM 1687 CA ASN A 108 5.552 -3.114 -10.741 1.00 64.52 C ATOM 1688 C ASN A 108 4.229 -3.781 -10.322 1.00 25.13 C ATOM 1689 O ASN A 108 3.146 -3.248 -10.575 1.00 14.24 O ATOM 1690 CB ASN A 108 6.065 -3.724 -12.054 1.00 20.33 C ATOM 1691 CG ASN A 108 6.464 -5.183 -11.910 1.00 75.42 C ATOM 1692 OD1 ASN A 108 6.901 -5.620 -10.849 1.00 53.40 O ATOM 1693 ND2 ASN A 108 6.318 -5.951 -12.970 1.00 42.41 N ATOM 0 H ASN A 108 7.429 -3.693 -9.981 1.00 60.01 H new ATOM 0 HA ASN A 108 5.358 -2.053 -10.899 1.00 64.52 H new ATOM 0 HB2 ASN A 108 5.291 -3.638 -12.816 1.00 20.33 H new ATOM 0 HB3 ASN A 108 6.923 -3.150 -12.405 1.00 20.33 H new ATOM 0 HD21 ASN A 108 6.571 -6.938 -12.923 1.00 42.41 H new ATOM 0 HD22 ASN A 108 5.952 -5.559 -13.838 1.00 42.41 H new ATOM 1700 N LYS A 109 4.328 -4.944 -9.675 1.00 22.44 N ATOM 1701 CA LYS A 109 3.151 -5.638 -9.137 1.00 50.34 C ATOM 1702 C LYS A 109 2.421 -4.753 -8.117 1.00 34.11 C ATOM 1703 O LYS A 109 1.201 -4.581 -8.179 1.00 43.35 O ATOM 1704 CB LYS A 109 3.570 -6.954 -8.466 1.00 40.12 C ATOM 1705 CG LYS A 109 4.246 -7.949 -9.407 1.00 32.55 C ATOM 1706 CD LYS A 109 4.789 -9.162 -8.652 1.00 41.42 C ATOM 1707 CE LYS A 109 3.687 -9.973 -7.984 1.00 3.33 C ATOM 1708 NZ LYS A 109 4.243 -11.020 -7.089 1.00 20.13 N ATOM 0 H LYS A 109 5.211 -5.427 -9.510 1.00 22.44 H new ATOM 0 HA LYS A 109 2.476 -5.854 -9.965 1.00 50.34 H new ATOM 0 HB2 LYS A 109 4.250 -6.729 -7.644 1.00 40.12 H new ATOM 0 HB3 LYS A 109 2.688 -7.424 -8.031 1.00 40.12 H new ATOM 0 HG2 LYS A 109 3.532 -8.280 -10.161 1.00 32.55 H new ATOM 0 HG3 LYS A 109 5.061 -7.454 -9.935 1.00 32.55 H new ATOM 0 HD2 LYS A 109 5.338 -9.801 -9.344 1.00 41.42 H new ATOM 0 HD3 LYS A 109 5.499 -8.827 -7.896 1.00 41.42 H new ATOM 0 HE2 LYS A 109 3.042 -9.308 -7.410 1.00 3.33 H new ATOM 0 HE3 LYS A 109 3.064 -10.440 -8.747 1.00 3.33 H new ATOM 0 HZ1 LYS A 109 3.464 -11.552 -6.652 1.00 20.13 H new ATOM 0 HZ2 LYS A 109 4.838 -11.669 -7.642 1.00 20.13 H new ATOM 0 HZ3 LYS A 109 4.817 -10.573 -6.346 1.00 20.13 H new ATOM 1722 N VAL A 110 3.190 -4.193 -7.187 1.00 72.23 N ATOM 1723 CA VAL A 110 2.651 -3.302 -6.156 1.00 23.14 C ATOM 1724 C VAL A 110 1.957 -2.077 -6.775 1.00 5.23 C ATOM 1725 O VAL A 110 0.781 -1.818 -6.520 1.00 12.00 O ATOM 1726 CB VAL A 110 3.772 -2.815 -5.204 1.00 63.14 C ATOM 1727 CG1 VAL A 110 3.196 -1.984 -4.056 1.00 64.32 C ATOM 1728 CG2 VAL A 110 4.582 -3.996 -4.671 1.00 72.44 C ATOM 0 H VAL A 110 4.197 -4.341 -7.124 1.00 72.23 H new ATOM 0 HA VAL A 110 1.917 -3.878 -5.593 1.00 23.14 H new ATOM 0 HB VAL A 110 4.444 -2.174 -5.775 1.00 63.14 H new ATOM 0 HG11 VAL A 110 4.005 -1.655 -3.403 1.00 64.32 H new ATOM 0 HG12 VAL A 110 2.679 -1.114 -4.460 1.00 64.32 H new ATOM 0 HG13 VAL A 110 2.493 -2.590 -3.485 1.00 64.32 H new ATOM 0 HG21 VAL A 110 5.363 -3.630 -4.005 1.00 72.44 H new ATOM 0 HG22 VAL A 110 3.924 -4.671 -4.123 1.00 72.44 H new ATOM 0 HG23 VAL A 110 5.037 -4.531 -5.505 1.00 72.44 H new ATOM 1738 N LEU A 111 2.699 -1.342 -7.598 1.00 62.22 N ATOM 1739 CA LEU A 111 2.201 -0.114 -8.223 1.00 44.03 C ATOM 1740 C LEU A 111 0.924 -0.368 -9.042 1.00 43.43 C ATOM 1741 O LEU A 111 -0.068 0.344 -8.890 1.00 30.42 O ATOM 1742 CB LEU A 111 3.292 0.498 -9.114 1.00 2.42 C ATOM 1743 CG LEU A 111 2.951 1.863 -9.739 1.00 61.51 C ATOM 1744 CD1 LEU A 111 2.653 2.901 -8.659 1.00 65.40 C ATOM 1745 CD2 LEU A 111 4.087 2.334 -10.648 1.00 3.44 C ATOM 0 H LEU A 111 3.659 -1.577 -7.852 1.00 62.22 H new ATOM 0 HA LEU A 111 1.946 0.587 -7.428 1.00 44.03 H new ATOM 0 HB2 LEU A 111 4.201 0.606 -8.522 1.00 2.42 H new ATOM 0 HB3 LEU A 111 3.516 -0.204 -9.917 1.00 2.42 H new ATOM 0 HG LEU A 111 2.053 1.745 -10.345 1.00 61.51 H new ATOM 0 HD11 LEU A 111 2.415 3.856 -9.128 1.00 65.40 H new ATOM 0 HD12 LEU A 111 1.805 2.570 -8.060 1.00 65.40 H new ATOM 0 HD13 LEU A 111 3.526 3.019 -8.017 1.00 65.40 H new ATOM 0 HD21 LEU A 111 3.829 3.300 -11.081 1.00 3.44 H new ATOM 0 HD22 LEU A 111 5.003 2.430 -10.065 1.00 3.44 H new ATOM 0 HD23 LEU A 111 4.239 1.607 -11.446 1.00 3.44 H new ATOM 1757 N SER A 112 0.948 -1.392 -9.898 1.00 51.04 N ATOM 1758 CA SER A 112 -0.221 -1.734 -10.725 1.00 73.53 C ATOM 1759 C SER A 112 -1.438 -2.087 -9.861 1.00 53.24 C ATOM 1760 O SER A 112 -2.572 -1.735 -10.190 1.00 62.22 O ATOM 1761 CB SER A 112 0.097 -2.903 -11.669 1.00 61.11 C ATOM 1762 OG SER A 112 -1.024 -3.228 -12.480 1.00 3.20 O ATOM 0 H SER A 112 1.756 -1.998 -10.039 1.00 51.04 H new ATOM 0 HA SER A 112 -0.462 -0.852 -11.318 1.00 73.53 H new ATOM 0 HB2 SER A 112 0.944 -2.642 -12.303 1.00 61.11 H new ATOM 0 HB3 SER A 112 0.392 -3.775 -11.086 1.00 61.11 H new ATOM 0 HG SER A 112 -0.794 -3.974 -13.072 1.00 3.20 H new ATOM 1768 N SER A 113 -1.197 -2.779 -8.747 1.00 51.41 N ATOM 1769 CA SER A 113 -2.270 -3.127 -7.804 1.00 3.21 C ATOM 1770 C SER A 113 -2.852 -1.867 -7.149 1.00 43.41 C ATOM 1771 O SER A 113 -4.070 -1.735 -7.003 1.00 62.32 O ATOM 1772 CB SER A 113 -1.749 -4.087 -6.725 1.00 63.12 C ATOM 1773 OG SER A 113 -2.794 -4.528 -5.872 1.00 53.30 O ATOM 0 H SER A 113 -0.272 -3.111 -8.473 1.00 51.41 H new ATOM 0 HA SER A 113 -3.062 -3.623 -8.365 1.00 3.21 H new ATOM 0 HB2 SER A 113 -1.278 -4.948 -7.199 1.00 63.12 H new ATOM 0 HB3 SER A 113 -0.981 -3.589 -6.133 1.00 63.12 H new ATOM 0 HG SER A 113 -3.405 -5.106 -6.375 1.00 53.30 H new ATOM 1779 N LEU A 114 -1.974 -0.936 -6.773 1.00 45.55 N ATOM 1780 CA LEU A 114 -2.394 0.352 -6.205 1.00 11.10 C ATOM 1781 C LEU A 114 -3.216 1.161 -7.218 1.00 64.13 C ATOM 1782 O LEU A 114 -4.259 1.722 -6.880 1.00 22.55 O ATOM 1783 CB LEU A 114 -1.170 1.165 -5.765 1.00 53.10 C ATOM 1784 CG LEU A 114 -0.306 0.517 -4.672 1.00 53.45 C ATOM 1785 CD1 LEU A 114 0.915 1.380 -4.375 1.00 21.21 C ATOM 1786 CD2 LEU A 114 -1.123 0.273 -3.402 1.00 63.01 C ATOM 0 H LEU A 114 -0.963 -1.048 -6.851 1.00 45.55 H new ATOM 0 HA LEU A 114 -3.020 0.146 -5.337 1.00 11.10 H new ATOM 0 HB2 LEU A 114 -0.544 1.348 -6.638 1.00 53.10 H new ATOM 0 HB3 LEU A 114 -1.510 2.137 -5.407 1.00 53.10 H new ATOM 0 HG LEU A 114 0.039 -0.450 -5.038 1.00 53.45 H new ATOM 0 HD11 LEU A 114 1.516 0.906 -3.599 1.00 21.21 H new ATOM 0 HD12 LEU A 114 1.512 1.489 -5.280 1.00 21.21 H new ATOM 0 HD13 LEU A 114 0.591 2.363 -4.034 1.00 21.21 H new ATOM 0 HD21 LEU A 114 -0.489 -0.186 -2.644 1.00 63.01 H new ATOM 0 HD22 LEU A 114 -1.506 1.222 -3.028 1.00 63.01 H new ATOM 0 HD23 LEU A 114 -1.957 -0.391 -3.628 1.00 63.01 H new ATOM 1798 N VAL A 115 -2.735 1.221 -8.459 1.00 11.11 N ATOM 1799 CA VAL A 115 -3.459 1.897 -9.540 1.00 73.22 C ATOM 1800 C VAL A 115 -4.855 1.285 -9.732 1.00 21.54 C ATOM 1801 O VAL A 115 -5.849 2.002 -9.815 1.00 64.51 O ATOM 1802 CB VAL A 115 -2.674 1.831 -10.877 1.00 15.44 C ATOM 1803 CG1 VAL A 115 -3.476 2.449 -12.023 1.00 63.21 C ATOM 1804 CG2 VAL A 115 -1.316 2.519 -10.743 1.00 2.42 C ATOM 0 H VAL A 115 -1.846 0.810 -8.743 1.00 11.11 H new ATOM 0 HA VAL A 115 -3.564 2.943 -9.251 1.00 73.22 H new ATOM 0 HB VAL A 115 -2.508 0.780 -11.111 1.00 15.44 H new ATOM 0 HG11 VAL A 115 -2.899 2.387 -12.946 1.00 63.21 H new ATOM 0 HG12 VAL A 115 -4.414 1.907 -12.145 1.00 63.21 H new ATOM 0 HG13 VAL A 115 -3.688 3.494 -11.797 1.00 63.21 H new ATOM 0 HG21 VAL A 115 -0.783 2.460 -11.692 1.00 2.42 H new ATOM 0 HG22 VAL A 115 -1.463 3.565 -10.473 1.00 2.42 H new ATOM 0 HG23 VAL A 115 -0.732 2.023 -9.968 1.00 2.42 H new ATOM 1814 N THR A 116 -4.924 -0.047 -9.788 1.00 3.24 N ATOM 1815 CA THR A 116 -6.211 -0.753 -9.880 1.00 14.23 C ATOM 1816 C THR A 116 -7.122 -0.403 -8.696 1.00 24.24 C ATOM 1817 O THR A 116 -8.314 -0.148 -8.871 1.00 61.51 O ATOM 1818 CB THR A 116 -6.024 -2.291 -9.938 1.00 41.13 C ATOM 1819 OG1 THR A 116 -5.316 -2.654 -11.137 1.00 24.40 O ATOM 1820 CG2 THR A 116 -7.370 -3.019 -9.897 1.00 71.11 C ATOM 0 H THR A 116 -4.109 -0.660 -9.772 1.00 3.24 H new ATOM 0 HA THR A 116 -6.679 -0.423 -10.807 1.00 14.23 H new ATOM 0 HB THR A 116 -5.447 -2.591 -9.064 1.00 41.13 H new ATOM 0 HG1 THR A 116 -4.365 -2.444 -11.031 1.00 24.40 H new ATOM 0 HG21 THR A 116 -7.203 -4.095 -9.939 1.00 71.11 H new ATOM 0 HG22 THR A 116 -7.891 -2.769 -8.973 1.00 71.11 H new ATOM 0 HG23 THR A 116 -7.976 -2.712 -10.750 1.00 71.11 H new ATOM 1828 N LEU A 117 -6.549 -0.389 -7.492 1.00 3.31 N ATOM 1829 CA LEU A 117 -7.283 0.002 -6.282 1.00 61.32 C ATOM 1830 C LEU A 117 -7.843 1.430 -6.412 1.00 72.25 C ATOM 1831 O LEU A 117 -8.995 1.696 -6.064 1.00 62.13 O ATOM 1832 CB LEU A 117 -6.362 -0.096 -5.059 1.00 21.35 C ATOM 1833 CG LEU A 117 -7.000 0.296 -3.716 1.00 24.52 C ATOM 1834 CD1 LEU A 117 -8.167 -0.627 -3.373 1.00 53.22 C ATOM 1835 CD2 LEU A 117 -5.954 0.284 -2.604 1.00 42.14 C ATOM 0 H LEU A 117 -5.576 -0.644 -7.326 1.00 3.31 H new ATOM 0 HA LEU A 117 -8.124 -0.680 -6.155 1.00 61.32 H new ATOM 0 HB2 LEU A 117 -5.997 -1.120 -4.982 1.00 21.35 H new ATOM 0 HB3 LEU A 117 -5.494 0.541 -5.228 1.00 21.35 H new ATOM 0 HG LEU A 117 -7.392 1.309 -3.809 1.00 24.52 H new ATOM 0 HD11 LEU A 117 -8.600 -0.327 -2.418 1.00 53.22 H new ATOM 0 HD12 LEU A 117 -8.926 -0.559 -4.153 1.00 53.22 H new ATOM 0 HD13 LEU A 117 -7.810 -1.654 -3.303 1.00 53.22 H new ATOM 0 HD21 LEU A 117 -6.423 0.564 -1.661 1.00 42.14 H new ATOM 0 HD22 LEU A 117 -5.529 -0.716 -2.515 1.00 42.14 H new ATOM 0 HD23 LEU A 117 -5.163 0.995 -2.841 1.00 42.14 H new ATOM 1847 N ASN A 118 -7.017 2.341 -6.925 1.00 24.25 N ATOM 1848 CA ASN A 118 -7.431 3.728 -7.166 1.00 21.51 C ATOM 1849 C ASN A 118 -8.548 3.790 -8.227 1.00 2.34 C ATOM 1850 O ASN A 118 -9.510 4.536 -8.085 1.00 12.11 O ATOM 1851 CB ASN A 118 -6.220 4.561 -7.621 1.00 2.32 C ATOM 1852 CG ASN A 118 -6.507 6.053 -7.698 1.00 25.31 C ATOM 1853 OD1 ASN A 118 -7.220 6.588 -6.723 1.00 21.45 O flip ATOM 1854 ND2 ASN A 118 -6.045 6.736 -8.607 1.00 33.45 N flip ATOM 0 H ASN A 118 -6.050 2.144 -7.184 1.00 24.25 H new ATOM 0 HA ASN A 118 -7.822 4.141 -6.236 1.00 21.51 H new ATOM 0 HB2 ASN A 118 -5.393 4.393 -6.931 1.00 2.32 H new ATOM 0 HB3 ASN A 118 -5.895 4.210 -8.600 1.00 2.32 H new ATOM 0 HD21 ASN A 118 -5.498 6.297 -9.347 1.00 33.45 H new ATOM 0 HD22 ASN A 118 -6.208 7.743 -8.622 1.00 33.45 H new ATOM 1861 N LYS A 119 -8.411 2.984 -9.281 1.00 33.12 N ATOM 1862 CA LYS A 119 -9.401 2.936 -10.368 1.00 2.31 C ATOM 1863 C LYS A 119 -10.773 2.446 -9.880 1.00 11.01 C ATOM 1864 O LYS A 119 -11.793 3.098 -10.114 1.00 51.21 O ATOM 1865 CB LYS A 119 -8.904 2.022 -11.499 1.00 13.04 C ATOM 1866 CG LYS A 119 -7.680 2.552 -12.240 1.00 13.11 C ATOM 1867 CD LYS A 119 -7.117 1.518 -13.215 1.00 34.33 C ATOM 1868 CE LYS A 119 -8.141 1.092 -14.265 1.00 74.54 C ATOM 1869 NZ LYS A 119 -7.596 0.051 -15.179 1.00 21.31 N ATOM 0 H LYS A 119 -7.621 2.351 -9.409 1.00 33.12 H new ATOM 0 HA LYS A 119 -9.521 3.954 -10.738 1.00 2.31 H new ATOM 0 HB2 LYS A 119 -8.667 1.043 -11.082 1.00 13.04 H new ATOM 0 HB3 LYS A 119 -9.713 1.876 -12.215 1.00 13.04 H new ATOM 0 HG2 LYS A 119 -7.948 3.457 -12.785 1.00 13.11 H new ATOM 0 HG3 LYS A 119 -6.911 2.830 -11.520 1.00 13.11 H new ATOM 0 HD2 LYS A 119 -6.240 1.932 -13.713 1.00 34.33 H new ATOM 0 HD3 LYS A 119 -6.784 0.642 -12.659 1.00 34.33 H new ATOM 0 HE2 LYS A 119 -9.033 0.709 -13.769 1.00 74.54 H new ATOM 0 HE3 LYS A 119 -8.448 1.961 -14.846 1.00 74.54 H new ATOM 0 HZ1 LYS A 119 -8.321 -0.212 -15.877 1.00 21.31 H new ATOM 0 HZ2 LYS A 119 -6.760 0.425 -15.672 1.00 21.31 H new ATOM 0 HZ3 LYS A 119 -7.326 -0.788 -14.627 1.00 21.31 H new ATOM 1883 N VAL A 120 -10.799 1.293 -9.214 1.00 65.10 N ATOM 1884 CA VAL A 120 -12.058 0.695 -8.751 1.00 63.41 C ATOM 1885 C VAL A 120 -12.777 1.592 -7.729 1.00 40.33 C ATOM 1886 O VAL A 120 -14.007 1.661 -7.708 1.00 12.04 O ATOM 1887 CB VAL A 120 -11.832 -0.720 -8.149 1.00 41.21 C ATOM 1888 CG1 VAL A 120 -11.296 -1.677 -9.217 1.00 30.01 C ATOM 1889 CG2 VAL A 120 -10.886 -0.670 -6.948 1.00 1.53 C ATOM 0 H VAL A 120 -9.966 0.752 -8.981 1.00 65.10 H new ATOM 0 HA VAL A 120 -12.696 0.600 -9.629 1.00 63.41 H new ATOM 0 HB VAL A 120 -12.795 -1.092 -7.798 1.00 41.21 H new ATOM 0 HG11 VAL A 120 -11.143 -2.663 -8.778 1.00 30.01 H new ATOM 0 HG12 VAL A 120 -12.014 -1.750 -10.033 1.00 30.01 H new ATOM 0 HG13 VAL A 120 -10.348 -1.300 -9.601 1.00 30.01 H new ATOM 0 HG21 VAL A 120 -10.749 -1.676 -6.551 1.00 1.53 H new ATOM 0 HG22 VAL A 120 -9.922 -0.269 -7.261 1.00 1.53 H new ATOM 0 HG23 VAL A 120 -11.312 -0.030 -6.176 1.00 1.53 H new ATOM 1899 N THR A 121 -12.009 2.291 -6.896 1.00 61.13 N ATOM 1900 CA THR A 121 -12.587 3.216 -5.911 1.00 13.12 C ATOM 1901 C THR A 121 -12.944 4.569 -6.544 1.00 31.20 C ATOM 1902 O THR A 121 -13.895 5.230 -6.124 1.00 1.12 O ATOM 1903 CB THR A 121 -11.643 3.441 -4.709 1.00 15.33 C ATOM 1904 OG1 THR A 121 -10.363 3.910 -5.157 1.00 74.11 O ATOM 1905 CG2 THR A 121 -11.467 2.151 -3.916 1.00 61.45 C ATOM 0 H THR A 121 -10.990 2.239 -6.879 1.00 61.13 H new ATOM 0 HA THR A 121 -13.502 2.745 -5.550 1.00 13.12 H new ATOM 0 HB THR A 121 -12.092 4.195 -4.063 1.00 15.33 H new ATOM 0 HG1 THR A 121 -9.790 3.144 -5.370 1.00 74.11 H new ATOM 0 HG21 THR A 121 -10.799 2.330 -3.074 1.00 61.45 H new ATOM 0 HG22 THR A 121 -12.436 1.816 -3.546 1.00 61.45 H new ATOM 0 HG23 THR A 121 -11.040 1.383 -4.561 1.00 61.45 H new ATOM 1913 N ALA A 122 -12.180 4.975 -7.559 1.00 4.50 N ATOM 1914 CA ALA A 122 -12.497 6.181 -8.335 1.00 22.13 C ATOM 1915 C ALA A 122 -13.806 6.000 -9.114 1.00 25.04 C ATOM 1916 O ALA A 122 -14.588 6.940 -9.261 1.00 10.13 O ATOM 1917 CB ALA A 122 -11.358 6.525 -9.291 1.00 22.32 C ATOM 0 H ALA A 122 -11.337 4.489 -7.865 1.00 4.50 H new ATOM 0 HA ALA A 122 -12.623 7.006 -7.634 1.00 22.13 H new ATOM 0 HB1 ALA A 122 -11.615 7.422 -9.855 1.00 22.32 H new ATOM 0 HB2 ALA A 122 -10.446 6.704 -8.721 1.00 22.32 H new ATOM 0 HB3 ALA A 122 -11.199 5.696 -9.980 1.00 22.32 H new ATOM 1923 N ASP A 123 -14.031 4.783 -9.614 1.00 44.10 N ATOM 1924 CA ASP A 123 -15.283 4.444 -10.298 1.00 3.32 C ATOM 1925 C ASP A 123 -16.469 4.603 -9.334 1.00 53.34 C ATOM 1926 O ASP A 123 -17.470 5.242 -9.664 1.00 72.45 O ATOM 1927 CB ASP A 123 -15.220 3.009 -10.837 1.00 71.05 C ATOM 1928 CG ASP A 123 -16.379 2.685 -11.765 1.00 12.13 C ATOM 1929 OD1 ASP A 123 -17.476 2.357 -11.267 1.00 63.31 O ATOM 1930 OD2 ASP A 123 -16.199 2.759 -13.000 1.00 43.41 O ATOM 0 H ASP A 123 -13.363 4.015 -9.558 1.00 44.10 H new ATOM 0 HA ASP A 123 -15.422 5.124 -11.138 1.00 3.32 H new ATOM 0 HB2 ASP A 123 -14.280 2.866 -11.371 1.00 71.05 H new ATOM 0 HB3 ASP A 123 -15.222 2.310 -10.001 1.00 71.05 H new ATOM 1935 N ILE A 124 -16.342 4.015 -8.139 1.00 13.14 N ATOM 1936 CA ILE A 124 -17.328 4.208 -7.065 1.00 10.05 C ATOM 1937 C ILE A 124 -17.428 5.697 -6.681 1.00 65.32 C ATOM 1938 O ILE A 124 -18.485 6.187 -6.275 1.00 63.12 O ATOM 1939 CB ILE A 124 -16.956 3.380 -5.803 1.00 25.53 C ATOM 1940 CG1 ILE A 124 -16.842 1.886 -6.154 1.00 41.13 C ATOM 1941 CG2 ILE A 124 -17.978 3.596 -4.683 1.00 21.45 C ATOM 1942 CD1 ILE A 124 -16.420 1.009 -4.989 1.00 22.55 C ATOM 0 H ILE A 124 -15.567 3.401 -7.889 1.00 13.14 H new ATOM 0 HA ILE A 124 -18.291 3.863 -7.442 1.00 10.05 H new ATOM 0 HB ILE A 124 -15.987 3.726 -5.444 1.00 25.53 H new ATOM 0 HG12 ILE A 124 -17.804 1.537 -6.529 1.00 41.13 H new ATOM 0 HG13 ILE A 124 -16.122 1.767 -6.964 1.00 41.13 H new ATOM 0 HG21 ILE A 124 -17.694 3.005 -3.812 1.00 21.45 H new ATOM 0 HG22 ILE A 124 -18.004 4.652 -4.413 1.00 21.45 H new ATOM 0 HG23 ILE A 124 -18.965 3.285 -5.026 1.00 21.45 H new ATOM 0 HD11 ILE A 124 -16.363 -0.029 -5.317 1.00 22.55 H new ATOM 0 HD12 ILE A 124 -15.443 1.330 -4.627 1.00 22.55 H new ATOM 0 HD13 ILE A 124 -17.151 1.096 -4.185 1.00 22.55 H new ATOM 1954 N GLY A 125 -16.312 6.409 -6.814 1.00 10.31 N ATOM 1955 CA GLY A 125 -16.290 7.842 -6.549 1.00 40.33 C ATOM 1956 C GLY A 125 -15.824 8.190 -5.140 1.00 62.00 C ATOM 1957 O GLY A 125 -16.511 8.909 -4.413 1.00 11.03 O ATOM 0 H GLY A 125 -15.415 6.018 -7.103 1.00 10.31 H new ATOM 0 HA2 GLY A 125 -15.633 8.327 -7.271 1.00 40.33 H new ATOM 0 HA3 GLY A 125 -17.290 8.248 -6.704 1.00 40.33 H new ATOM 1961 N LEU A 126 -14.662 7.675 -4.750 1.00 64.00 N ATOM 1962 CA LEU A 126 -14.080 7.976 -3.433 1.00 12.23 C ATOM 1963 C LEU A 126 -12.978 9.049 -3.541 1.00 24.34 C ATOM 1964 O LEU A 126 -13.252 10.226 -3.205 1.00 37.53 O ATOM 1965 CB LEU A 126 -13.522 6.697 -2.791 1.00 72.55 C ATOM 1966 CG LEU A 126 -14.558 5.588 -2.527 1.00 24.32 C ATOM 1967 CD1 LEU A 126 -13.904 4.376 -1.870 1.00 54.15 C ATOM 1968 CD2 LEU A 126 -15.707 6.110 -1.667 1.00 11.31 C ATOM 1969 OXT LEU A 126 -11.853 8.719 -3.981 1.00 37.53 O ATOM 0 H LEU A 126 -14.099 7.046 -5.323 1.00 64.00 H new ATOM 0 HA LEU A 126 -14.872 8.372 -2.798 1.00 12.23 H new ATOM 0 HB2 LEU A 126 -12.742 6.296 -3.438 1.00 72.55 H new ATOM 0 HB3 LEU A 126 -13.048 6.961 -1.846 1.00 72.55 H new ATOM 0 HG LEU A 126 -14.966 5.275 -3.488 1.00 24.32 H new ATOM 0 HD11 LEU A 126 -14.656 3.607 -1.694 1.00 54.15 H new ATOM 0 HD12 LEU A 126 -13.128 3.981 -2.526 1.00 54.15 H new ATOM 0 HD13 LEU A 126 -13.460 4.673 -0.920 1.00 54.15 H new ATOM 0 HD21 LEU A 126 -16.425 5.309 -1.494 1.00 11.31 H new ATOM 0 HD22 LEU A 126 -15.316 6.459 -0.711 1.00 11.31 H new ATOM 0 HD23 LEU A 126 -16.200 6.935 -2.181 1.00 11.31 H new TER 1981 LEU A 126