USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 987 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 TYR OH : rot 0:sc= 0.283 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -126:sc= 0.364 (180deg=0) USER MOD Set 2.1: A 58 SER OG : rot -150:sc= 1.01 USER MOD Set 2.2: A 62 GLN : amide:sc= -0.997 K(o=0.018,f=-2.1!) USER MOD Set 3.1: A 15 GLN : amide:sc= -0.0373 X(o=-0.26,f=-0.49) USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0812 (180deg=-0.508) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 5 HIS : no HD1:sc= -0.0885 X(o=-0.089,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 21 SER OG : rot 15:sc= 0.924 USER MOD Single : A 22 MET CE :methyl -157:sc= -0.227 (180deg=-0.977) USER MOD Single : A 25 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -79:sc= 1.19 USER MOD Single : A 37 SER OG : rot -36:sc= 0.609 USER MOD Single : A 38 CYS SG : rot 28:sc= -4.52! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.604 K(o=0.6,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.236) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 69 GLN : amide:sc= 0.575 K(o=0.58,f=-0.019) USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 THR OG1 : rot -25:sc= 0.0368 USER MOD Single : A 73 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.7) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= -0.811 (180deg=-0.822) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= -3.39! (180deg=-5.1!) USER MOD Single : A 80 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.77) USER MOD Single : A 84 ASN :FLIP amide:sc= 0.14 F(o=-1.7,f=0.14) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.987 F(o=-3.9!,f=-0.99) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.4) USER MOD Single : A 94 SER OG : rot 170:sc= 0.0172 USER MOD Single : A 98 THR OG1 : rot 98:sc= 0.48 USER MOD Single : A 101 MET CE :methyl 155:sc= -0.25 (180deg=-1.09) USER MOD Single : A 103 LYS NZ :NH3+ 163:sc= 1.33 (180deg=1) USER MOD Single : A 104 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.98) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 153:sc= 0.761 USER MOD Single : A 110 GLN : amide:sc= 0.695 K(o=0.7,f=-0.6) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.697) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.488 F(o=-1.2,f=-0.49) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 126 ASN : amide:sc= -2.32! C(o=-2.3!,f=-3.1!) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.0156 F(o=-2.8!,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.361 -28.423 2.545 1.00 13.53 N ATOM 2 CA MET A 1 -12.767 -29.528 1.758 1.00 70.21 C ATOM 3 C MET A 1 -13.212 -29.419 0.304 1.00 3.31 C ATOM 4 O MET A 1 -14.391 -29.601 -0.008 1.00 20.25 O ATOM 5 CB MET A 1 -13.178 -30.887 2.346 1.00 72.20 C ATOM 6 CG MET A 1 -12.578 -32.083 1.613 1.00 31.22 C ATOM 7 SD MET A 1 -10.773 -32.078 1.628 1.00 52.34 S ATOM 8 CE MET A 1 -10.438 -32.165 3.390 1.00 31.44 C ATOM 0 H1 MET A 1 -13.056 -28.500 3.536 1.00 13.53 H new ATOM 0 H2 MET A 1 -13.047 -27.511 2.156 1.00 13.53 H new ATOM 0 H3 MET A 1 -14.398 -28.481 2.497 1.00 13.53 H new ATOM 0 HA MET A 1 -11.681 -29.453 1.803 1.00 70.21 H new ATOM 0 HB2 MET A 1 -12.876 -30.926 3.393 1.00 72.20 H new ATOM 0 HB3 MET A 1 -14.265 -30.968 2.325 1.00 72.20 H new ATOM 0 HG2 MET A 1 -12.938 -33.003 2.073 1.00 31.22 H new ATOM 0 HG3 MET A 1 -12.928 -32.084 0.581 1.00 31.22 H new ATOM 0 HE1 MET A 1 -9.404 -32.470 3.549 1.00 31.44 H new ATOM 0 HE2 MET A 1 -10.600 -31.186 3.840 1.00 31.44 H new ATOM 0 HE3 MET A 1 -11.106 -32.892 3.852 1.00 31.44 H new ATOM 20 N ALA A 2 -12.266 -29.128 -0.584 1.00 12.51 N ATOM 21 CA ALA A 2 -12.580 -28.851 -1.982 1.00 63.22 C ATOM 22 C ALA A 2 -12.358 -30.079 -2.865 1.00 13.43 C ATOM 23 O ALA A 2 -11.224 -30.426 -3.190 1.00 71.42 O ATOM 24 CB ALA A 2 -11.740 -27.678 -2.483 1.00 62.51 C ATOM 0 H ALA A 2 -11.272 -29.078 -0.359 1.00 12.51 H new ATOM 0 HA ALA A 2 -13.637 -28.590 -2.043 1.00 63.22 H new ATOM 0 HB1 ALA A 2 -11.981 -27.478 -3.527 1.00 62.51 H new ATOM 0 HB2 ALA A 2 -11.957 -26.793 -1.885 1.00 62.51 H new ATOM 0 HB3 ALA A 2 -10.682 -27.925 -2.395 1.00 62.51 H new ATOM 30 N HIS A 3 -13.453 -30.731 -3.248 1.00 13.21 N ATOM 31 CA HIS A 3 -13.406 -31.836 -4.210 1.00 52.42 C ATOM 32 C HIS A 3 -13.619 -31.309 -5.627 1.00 14.33 C ATOM 33 O HIS A 3 -13.858 -32.078 -6.557 1.00 70.20 O ATOM 34 CB HIS A 3 -14.470 -32.894 -3.881 1.00 12.23 C ATOM 35 CG HIS A 3 -14.174 -33.702 -2.655 1.00 54.53 C ATOM 36 ND1 HIS A 3 -14.898 -33.601 -1.489 1.00 53.41 N ATOM 37 CD2 HIS A 3 -13.241 -34.657 -2.432 1.00 0.41 C ATOM 38 CE1 HIS A 3 -14.425 -34.457 -0.604 1.00 52.24 C ATOM 39 NE2 HIS A 3 -13.420 -35.113 -1.149 1.00 40.45 N ATOM 0 H HIS A 3 -14.389 -30.514 -2.907 1.00 13.21 H new ATOM 0 HA HIS A 3 -12.423 -32.303 -4.144 1.00 52.42 H new ATOM 0 HB2 HIS A 3 -15.432 -32.398 -3.752 1.00 12.23 H new ATOM 0 HB3 HIS A 3 -14.571 -33.568 -4.731 1.00 12.23 H new ATOM 0 HD2 HIS A 3 -12.494 -34.998 -3.134 1.00 0.41 H new ATOM 0 HE1 HIS A 3 -14.799 -34.597 0.400 1.00 52.24 H new ATOM 0 HE2 HIS A 3 -12.867 -35.839 -0.693 1.00 40.45 H new ATOM 48 N HIS A 4 -13.535 -29.987 -5.780 1.00 43.35 N ATOM 49 CA HIS A 4 -13.715 -29.343 -7.082 1.00 52.34 C ATOM 50 C HIS A 4 -12.374 -29.255 -7.808 1.00 52.54 C ATOM 51 O HIS A 4 -12.144 -29.950 -8.795 1.00 25.01 O ATOM 52 CB HIS A 4 -14.323 -27.942 -6.916 1.00 4.34 C ATOM 53 CG HIS A 4 -15.684 -27.934 -6.289 1.00 0.03 C ATOM 54 ND1 HIS A 4 -16.845 -28.111 -7.005 1.00 31.32 N ATOM 55 CD2 HIS A 4 -16.063 -27.758 -5.002 1.00 2.21 C ATOM 56 CE1 HIS A 4 -17.878 -28.042 -6.188 1.00 64.53 C ATOM 57 NE2 HIS A 4 -17.433 -27.827 -4.965 1.00 43.54 N ATOM 0 H HIS A 4 -13.343 -29.339 -5.016 1.00 43.35 H new ATOM 0 HA HIS A 4 -14.403 -29.945 -7.676 1.00 52.34 H new ATOM 0 HB2 HIS A 4 -13.651 -27.336 -6.308 1.00 4.34 H new ATOM 0 HB3 HIS A 4 -14.383 -27.466 -7.895 1.00 4.34 H new ATOM 0 HD2 HIS A 4 -15.408 -27.594 -4.159 1.00 2.21 H new ATOM 0 HE1 HIS A 4 -18.915 -28.144 -6.473 1.00 64.53 H new ATOM 0 HE2 HIS A 4 -18.011 -27.728 -4.130 1.00 43.54 H new ATOM 66 N HIS A 5 -11.494 -28.395 -7.301 1.00 43.55 N ATOM 67 CA HIS A 5 -10.131 -28.279 -7.808 1.00 61.44 C ATOM 68 C HIS A 5 -9.238 -27.724 -6.706 1.00 23.11 C ATOM 69 O HIS A 5 -9.715 -27.008 -5.823 1.00 13.35 O ATOM 70 CB HIS A 5 -10.064 -27.396 -9.070 1.00 60.21 C ATOM 71 CG HIS A 5 -10.402 -25.944 -8.852 1.00 21.05 C ATOM 72 ND1 HIS A 5 -11.622 -25.397 -9.186 1.00 74.42 N ATOM 73 CD2 HIS A 5 -9.660 -24.921 -8.357 1.00 31.44 C ATOM 74 CE1 HIS A 5 -11.615 -24.107 -8.909 1.00 43.40 C ATOM 75 NE2 HIS A 5 -10.438 -23.792 -8.405 1.00 2.24 N ATOM 0 H HIS A 5 -11.705 -27.762 -6.530 1.00 43.55 H new ATOM 0 HA HIS A 5 -9.780 -29.269 -8.099 1.00 61.44 H new ATOM 0 HB2 HIS A 5 -9.059 -27.461 -9.487 1.00 60.21 H new ATOM 0 HB3 HIS A 5 -10.746 -27.804 -9.817 1.00 60.21 H new ATOM 0 HD2 HIS A 5 -8.645 -24.984 -7.993 1.00 31.44 H new ATOM 0 HE1 HIS A 5 -12.436 -23.424 -9.068 1.00 43.40 H new ATOM 0 HE2 HIS A 5 -10.153 -22.861 -8.101 1.00 2.24 H new ATOM 84 N HIS A 6 -7.954 -28.052 -6.760 1.00 3.30 N ATOM 85 CA HIS A 6 -7.020 -27.712 -5.689 1.00 35.33 C ATOM 86 C HIS A 6 -6.109 -26.559 -6.102 1.00 41.31 C ATOM 87 O HIS A 6 -6.162 -26.091 -7.241 1.00 43.35 O ATOM 88 CB HIS A 6 -6.190 -28.946 -5.309 1.00 1.31 C ATOM 89 CG HIS A 6 -7.029 -30.124 -4.900 1.00 32.23 C ATOM 90 ND1 HIS A 6 -7.283 -30.453 -3.587 1.00 73.22 N ATOM 91 CD2 HIS A 6 -7.688 -31.041 -5.647 1.00 24.21 C ATOM 92 CE1 HIS A 6 -8.061 -31.519 -3.544 1.00 2.05 C ATOM 93 NE2 HIS A 6 -8.320 -31.895 -4.781 1.00 44.25 N ATOM 0 H HIS A 6 -7.531 -28.557 -7.539 1.00 3.30 H new ATOM 0 HA HIS A 6 -7.593 -27.389 -4.820 1.00 35.33 H new ATOM 0 HB2 HIS A 6 -5.566 -29.230 -6.156 1.00 1.31 H new ATOM 0 HB3 HIS A 6 -5.518 -28.686 -4.491 1.00 1.31 H new ATOM 0 HD2 HIS A 6 -7.711 -31.090 -6.726 1.00 24.21 H new ATOM 0 HE1 HIS A 6 -8.424 -32.001 -2.648 1.00 2.05 H new ATOM 0 HE2 HIS A 6 -8.897 -32.692 -5.050 1.00 44.25 H new ATOM 102 N HIS A 7 -5.292 -26.091 -5.162 1.00 71.14 N ATOM 103 CA HIS A 7 -4.352 -24.998 -5.416 1.00 35.12 C ATOM 104 C HIS A 7 -2.914 -25.473 -5.226 1.00 62.05 C ATOM 105 O HIS A 7 -2.479 -25.728 -4.102 1.00 4.11 O ATOM 106 CB HIS A 7 -4.631 -23.809 -4.484 1.00 73.31 C ATOM 107 CG HIS A 7 -5.962 -23.153 -4.706 1.00 42.14 C ATOM 108 ND1 HIS A 7 -6.145 -22.106 -5.582 1.00 53.33 N ATOM 109 CD2 HIS A 7 -7.176 -23.391 -4.152 1.00 65.33 C ATOM 110 CE1 HIS A 7 -7.407 -21.726 -5.557 1.00 52.41 C ATOM 111 NE2 HIS A 7 -8.058 -22.489 -4.698 1.00 31.31 N ATOM 0 H HIS A 7 -5.261 -26.454 -4.209 1.00 71.14 H new ATOM 0 HA HIS A 7 -4.487 -24.674 -6.448 1.00 35.12 H new ATOM 0 HB2 HIS A 7 -4.575 -24.151 -3.451 1.00 73.31 H new ATOM 0 HB3 HIS A 7 -3.845 -23.065 -4.617 1.00 73.31 H new ATOM 0 HD2 HIS A 7 -7.407 -24.149 -3.418 1.00 65.33 H new ATOM 0 HE1 HIS A 7 -7.836 -20.925 -6.141 1.00 52.41 H new ATOM 0 HE2 HIS A 7 -9.051 -22.420 -4.476 1.00 31.31 H new ATOM 120 N HIS A 8 -2.184 -25.608 -6.328 1.00 45.04 N ATOM 121 CA HIS A 8 -0.778 -26.000 -6.276 1.00 24.45 C ATOM 122 C HIS A 8 0.103 -24.764 -6.134 1.00 1.51 C ATOM 123 O HIS A 8 0.151 -23.923 -7.036 1.00 13.14 O ATOM 124 CB HIS A 8 -0.384 -26.785 -7.534 1.00 24.12 C ATOM 125 CG HIS A 8 1.047 -27.236 -7.530 1.00 25.22 C ATOM 126 ND1 HIS A 8 2.007 -26.720 -8.374 1.00 0.41 N ATOM 127 CD2 HIS A 8 1.679 -28.164 -6.772 1.00 73.54 C ATOM 128 CE1 HIS A 8 3.162 -27.312 -8.135 1.00 4.23 C ATOM 129 NE2 HIS A 8 2.992 -28.190 -7.167 1.00 14.14 N ATOM 0 H HIS A 8 -2.542 -25.452 -7.270 1.00 45.04 H new ATOM 0 HA HIS A 8 -0.633 -26.645 -5.409 1.00 24.45 H new ATOM 0 HB2 HIS A 8 -1.032 -27.657 -7.627 1.00 24.12 H new ATOM 0 HB3 HIS A 8 -0.559 -26.163 -8.412 1.00 24.12 H new ATOM 0 HD2 HIS A 8 1.231 -28.771 -5.999 1.00 73.54 H new ATOM 0 HE1 HIS A 8 4.091 -27.111 -8.647 1.00 4.23 H new ATOM 0 HE2 HIS A 8 3.718 -28.790 -6.776 1.00 14.14 H new ATOM 138 N MET A 9 0.788 -24.659 -4.998 1.00 64.33 N ATOM 139 CA MET A 9 1.647 -23.509 -4.711 1.00 4.25 C ATOM 140 C MET A 9 2.835 -23.455 -5.674 1.00 61.55 C ATOM 141 O MET A 9 3.223 -24.472 -6.262 1.00 73.22 O ATOM 142 CB MET A 9 2.148 -23.557 -3.259 1.00 23.42 C ATOM 143 CG MET A 9 1.033 -23.505 -2.220 1.00 74.31 C ATOM 144 SD MET A 9 0.016 -22.021 -2.363 1.00 74.11 S ATOM 145 CE MET A 9 -1.163 -22.282 -1.038 1.00 24.25 C ATOM 0 H MET A 9 0.766 -25.359 -4.257 1.00 64.33 H new ATOM 0 HA MET A 9 1.052 -22.606 -4.849 1.00 4.25 H new ATOM 0 HB2 MET A 9 2.725 -24.470 -3.114 1.00 23.42 H new ATOM 0 HB3 MET A 9 2.827 -22.721 -3.091 1.00 23.42 H new ATOM 0 HG2 MET A 9 0.400 -24.386 -2.328 1.00 74.31 H new ATOM 0 HG3 MET A 9 1.470 -23.546 -1.222 1.00 74.31 H new ATOM 0 HE1 MET A 9 -1.860 -21.445 -1.001 1.00 24.25 H new ATOM 0 HE2 MET A 9 -1.714 -23.205 -1.218 1.00 24.25 H new ATOM 0 HE3 MET A 9 -0.633 -22.355 -0.088 1.00 24.25 H new ATOM 155 N GLY A 10 3.410 -22.264 -5.822 1.00 54.13 N ATOM 156 CA GLY A 10 4.538 -22.065 -6.720 1.00 70.02 C ATOM 157 C GLY A 10 5.488 -21.002 -6.208 1.00 3.21 C ATOM 158 O GLY A 10 6.628 -21.298 -5.847 1.00 40.21 O ATOM 0 H GLY A 10 3.111 -21.422 -5.329 1.00 54.13 H new ATOM 0 HA2 GLY A 10 5.076 -23.005 -6.840 1.00 70.02 H new ATOM 0 HA3 GLY A 10 4.171 -21.779 -7.706 1.00 70.02 H new ATOM 162 N THR A 11 5.013 -19.760 -6.177 1.00 2.45 N ATOM 163 CA THR A 11 5.792 -18.646 -5.645 1.00 71.53 C ATOM 164 C THR A 11 5.840 -18.716 -4.114 1.00 44.31 C ATOM 165 O THR A 11 5.172 -19.556 -3.506 1.00 72.45 O ATOM 166 CB THR A 11 5.200 -17.285 -6.101 1.00 53.04 C ATOM 167 OG1 THR A 11 6.026 -16.200 -5.650 1.00 52.04 O ATOM 168 CG2 THR A 11 3.776 -17.101 -5.580 1.00 2.23 C ATOM 0 H THR A 11 4.087 -19.499 -6.516 1.00 2.45 H new ATOM 0 HA THR A 11 6.807 -18.724 -6.036 1.00 71.53 H new ATOM 0 HB THR A 11 5.172 -17.284 -7.191 1.00 53.04 H new ATOM 0 HG1 THR A 11 5.640 -15.350 -5.947 1.00 52.04 H new ATOM 0 HG21 THR A 11 3.387 -16.139 -5.915 1.00 2.23 H new ATOM 0 HG22 THR A 11 3.142 -17.901 -5.962 1.00 2.23 H new ATOM 0 HG23 THR A 11 3.781 -17.131 -4.490 1.00 2.23 H new ATOM 176 N LEU A 12 6.623 -17.832 -3.496 1.00 34.32 N ATOM 177 CA LEU A 12 6.781 -17.840 -2.045 1.00 3.32 C ATOM 178 C LEU A 12 7.303 -16.495 -1.536 1.00 60.22 C ATOM 179 O LEU A 12 6.526 -15.674 -1.053 1.00 22.44 O ATOM 180 CB LEU A 12 7.713 -18.981 -1.605 1.00 21.43 C ATOM 181 CG LEU A 12 7.902 -19.130 -0.086 1.00 44.10 C ATOM 182 CD1 LEU A 12 6.565 -19.370 0.612 1.00 24.33 C ATOM 183 CD2 LEU A 12 8.883 -20.258 0.217 1.00 61.41 C ATOM 0 H LEU A 12 7.154 -17.106 -3.976 1.00 34.32 H new ATOM 0 HA LEU A 12 5.798 -18.007 -1.605 1.00 3.32 H new ATOM 0 HB2 LEU A 12 7.322 -19.919 -1.999 1.00 21.43 H new ATOM 0 HB3 LEU A 12 8.690 -18.826 -2.062 1.00 21.43 H new ATOM 0 HG LEU A 12 8.316 -18.199 0.301 1.00 44.10 H new ATOM 0 HD11 LEU A 12 6.728 -19.472 1.685 1.00 24.33 H new ATOM 0 HD12 LEU A 12 5.900 -18.527 0.424 1.00 24.33 H new ATOM 0 HD13 LEU A 12 6.112 -20.283 0.226 1.00 24.33 H new ATOM 0 HD21 LEU A 12 9.007 -20.352 1.296 1.00 61.41 H new ATOM 0 HD22 LEU A 12 8.497 -21.194 -0.187 1.00 61.41 H new ATOM 0 HD23 LEU A 12 9.847 -20.035 -0.241 1.00 61.41 H new ATOM 195 N GLU A 13 8.617 -16.264 -1.660 1.00 71.02 N ATOM 196 CA GLU A 13 9.234 -15.054 -1.110 1.00 1.44 C ATOM 197 C GLU A 13 10.708 -14.923 -1.532 1.00 1.31 C ATOM 198 O GLU A 13 11.351 -15.910 -1.906 1.00 41.21 O ATOM 199 CB GLU A 13 9.125 -15.077 0.425 1.00 14.33 C ATOM 200 CG GLU A 13 9.682 -13.842 1.120 1.00 55.30 C ATOM 201 CD GLU A 13 8.958 -12.557 0.736 1.00 11.32 C ATOM 202 OE1 GLU A 13 9.158 -12.074 -0.400 1.00 61.23 O ATOM 203 OE2 GLU A 13 8.219 -12.010 1.576 1.00 11.12 O ATOM 0 H GLU A 13 9.266 -16.894 -2.132 1.00 71.02 H new ATOM 0 HA GLU A 13 8.701 -14.190 -1.508 1.00 1.44 H new ATOM 0 HB2 GLU A 13 8.076 -15.190 0.700 1.00 14.33 H new ATOM 0 HB3 GLU A 13 9.649 -15.956 0.800 1.00 14.33 H new ATOM 0 HG2 GLU A 13 9.616 -13.980 2.199 1.00 55.30 H new ATOM 0 HG3 GLU A 13 10.740 -13.742 0.876 1.00 55.30 H new ATOM 210 N ALA A 14 11.227 -13.692 -1.471 1.00 63.35 N ATOM 211 CA ALA A 14 12.631 -13.395 -1.770 1.00 61.14 C ATOM 212 C ALA A 14 13.476 -13.414 -0.487 1.00 52.30 C ATOM 213 O ALA A 14 13.120 -14.093 0.482 1.00 44.21 O ATOM 214 CB ALA A 14 12.727 -12.045 -2.466 1.00 61.42 C ATOM 0 H ALA A 14 10.682 -12.870 -1.211 1.00 63.35 H new ATOM 0 HA ALA A 14 13.025 -14.163 -2.435 1.00 61.14 H new ATOM 0 HB1 ALA A 14 13.771 -11.824 -2.688 1.00 61.42 H new ATOM 0 HB2 ALA A 14 12.156 -12.073 -3.394 1.00 61.42 H new ATOM 0 HB3 ALA A 14 12.323 -11.270 -1.815 1.00 61.42 H new ATOM 220 N GLN A 15 14.602 -12.686 -0.476 1.00 60.23 N ATOM 221 CA GLN A 15 15.506 -12.693 0.679 1.00 70.21 C ATOM 222 C GLN A 15 15.894 -11.278 1.132 1.00 21.24 C ATOM 223 O GLN A 15 16.950 -10.762 0.760 1.00 51.52 O ATOM 224 CB GLN A 15 16.764 -13.521 0.367 1.00 51.53 C ATOM 225 CG GLN A 15 17.802 -13.534 1.491 1.00 34.43 C ATOM 226 CD GLN A 15 17.241 -14.004 2.826 1.00 71.45 C ATOM 227 OE1 GLN A 15 16.319 -14.823 2.877 1.00 60.11 O ATOM 228 NE2 GLN A 15 17.788 -13.482 3.913 1.00 24.41 N ATOM 0 H GLN A 15 14.905 -12.091 -1.247 1.00 60.23 H new ATOM 0 HA GLN A 15 14.966 -13.154 1.506 1.00 70.21 H new ATOM 0 HB2 GLN A 15 16.466 -14.547 0.152 1.00 51.53 H new ATOM 0 HB3 GLN A 15 17.229 -13.128 -0.537 1.00 51.53 H new ATOM 0 HG2 GLN A 15 18.629 -14.183 1.204 1.00 34.43 H new ATOM 0 HG3 GLN A 15 18.211 -12.531 1.610 1.00 34.43 H new ATOM 0 HE21 GLN A 15 18.549 -12.808 3.828 1.00 24.41 H new ATOM 0 HE22 GLN A 15 17.449 -13.754 4.836 1.00 24.41 H new ATOM 237 N THR A 16 15.008 -10.668 1.923 1.00 0.51 N ATOM 238 CA THR A 16 15.290 -9.438 2.686 1.00 21.20 C ATOM 239 C THR A 16 15.975 -8.330 1.862 1.00 10.14 C ATOM 240 O THR A 16 16.015 -8.389 0.633 1.00 4.43 O ATOM 241 CB THR A 16 16.160 -9.768 3.927 1.00 13.13 C ATOM 242 OG1 THR A 16 17.386 -10.400 3.523 1.00 24.22 O ATOM 243 CG2 THR A 16 15.416 -10.679 4.904 1.00 44.32 C ATOM 0 H THR A 16 14.059 -11.016 2.057 1.00 0.51 H new ATOM 0 HA THR A 16 14.318 -9.046 2.987 1.00 21.20 H new ATOM 0 HB THR A 16 16.382 -8.828 4.432 1.00 13.13 H new ATOM 0 HG1 THR A 16 17.926 -10.602 4.315 1.00 24.22 H new ATOM 0 HG21 THR A 16 16.054 -10.891 5.762 1.00 44.32 H new ATOM 0 HG22 THR A 16 14.506 -10.184 5.242 1.00 44.32 H new ATOM 0 HG23 THR A 16 15.157 -11.613 4.405 1.00 44.32 H new ATOM 251 N GLN A 17 16.475 -7.302 2.568 1.00 52.11 N ATOM 252 CA GLN A 17 17.286 -6.240 1.967 1.00 71.45 C ATOM 253 C GLN A 17 17.678 -5.206 3.021 1.00 4.15 C ATOM 254 O GLN A 17 18.861 -4.926 3.205 1.00 44.02 O ATOM 255 CB GLN A 17 16.568 -5.552 0.784 1.00 24.15 C ATOM 256 CG GLN A 17 17.249 -5.786 -0.572 1.00 64.12 C ATOM 257 CD GLN A 17 18.490 -4.923 -0.819 1.00 13.41 C ATOM 258 OE1 GLN A 17 19.215 -4.552 0.227 1.00 62.41 O flip ATOM 259 NE2 GLN A 17 18.802 -4.596 -1.963 1.00 43.21 N flip ATOM 0 H GLN A 17 16.326 -7.188 3.571 1.00 52.11 H new ATOM 0 HA GLN A 17 18.186 -6.710 1.571 1.00 71.45 H new ATOM 0 HB2 GLN A 17 15.542 -5.915 0.733 1.00 24.15 H new ATOM 0 HB3 GLN A 17 16.517 -4.480 0.975 1.00 24.15 H new ATOM 0 HG2 GLN A 17 17.532 -6.836 -0.645 1.00 64.12 H new ATOM 0 HG3 GLN A 17 16.526 -5.595 -1.365 1.00 64.12 H new ATOM 0 HE21 GLN A 17 18.229 -4.893 -2.753 1.00 43.21 H new ATOM 0 HE22 GLN A 17 19.634 -4.028 -2.122 1.00 43.21 H new ATOM 268 N GLY A 18 16.685 -4.639 3.698 1.00 62.32 N ATOM 269 CA GLY A 18 16.954 -3.652 4.733 1.00 55.43 C ATOM 270 C GLY A 18 15.698 -2.918 5.174 1.00 11.52 C ATOM 271 O GLY A 18 15.030 -2.292 4.351 1.00 54.24 O ATOM 0 H GLY A 18 15.697 -4.844 3.550 1.00 62.32 H new ATOM 0 HA2 GLY A 18 17.404 -4.146 5.594 1.00 55.43 H new ATOM 0 HA3 GLY A 18 17.682 -2.930 4.363 1.00 55.43 H new ATOM 275 N PRO A 19 15.332 -3.001 6.466 1.00 22.41 N ATOM 276 CA PRO A 19 14.188 -2.273 7.019 1.00 3.53 C ATOM 277 C PRO A 19 14.576 -0.864 7.484 1.00 3.04 C ATOM 278 O PRO A 19 15.763 -0.556 7.626 1.00 32.21 O ATOM 279 CB PRO A 19 13.789 -3.154 8.204 1.00 45.54 C ATOM 280 CG PRO A 19 15.082 -3.724 8.698 1.00 62.15 C ATOM 281 CD PRO A 19 16.002 -3.819 7.496 1.00 34.53 C ATOM 0 HA PRO A 19 13.389 -2.113 6.295 1.00 3.53 H new ATOM 0 HB2 PRO A 19 13.289 -2.574 8.979 1.00 45.54 H new ATOM 0 HB3 PRO A 19 13.099 -3.941 7.899 1.00 45.54 H new ATOM 0 HG2 PRO A 19 15.516 -3.088 9.469 1.00 62.15 H new ATOM 0 HG3 PRO A 19 14.927 -4.706 9.145 1.00 62.15 H new ATOM 0 HD2 PRO A 19 16.997 -3.437 7.724 1.00 34.53 H new ATOM 0 HD3 PRO A 19 16.125 -4.851 7.168 1.00 34.53 H new ATOM 289 N GLY A 20 13.579 -0.013 7.723 1.00 3.33 N ATOM 290 CA GLY A 20 13.852 1.352 8.151 1.00 2.04 C ATOM 291 C GLY A 20 12.707 1.991 8.921 1.00 23.45 C ATOM 292 O GLY A 20 12.810 3.152 9.327 1.00 40.30 O ATOM 0 H GLY A 20 12.590 -0.243 7.628 1.00 3.33 H new ATOM 0 HA2 GLY A 20 14.745 1.356 8.776 1.00 2.04 H new ATOM 0 HA3 GLY A 20 14.073 1.961 7.274 1.00 2.04 H new ATOM 296 N SER A 21 11.625 1.241 9.122 1.00 23.15 N ATOM 297 CA SER A 21 10.438 1.728 9.833 1.00 34.45 C ATOM 298 C SER A 21 9.994 3.091 9.290 1.00 23.55 C ATOM 299 O SER A 21 9.970 4.093 10.009 1.00 43.23 O ATOM 300 CB SER A 21 10.682 1.783 11.353 1.00 74.20 C ATOM 301 OG SER A 21 11.778 2.622 11.680 1.00 63.24 O ATOM 0 H SER A 21 11.544 0.277 8.797 1.00 23.15 H new ATOM 0 HA SER A 21 9.628 1.020 9.656 1.00 34.45 H new ATOM 0 HB2 SER A 21 9.784 2.147 11.852 1.00 74.20 H new ATOM 0 HB3 SER A 21 10.870 0.777 11.728 1.00 74.20 H new ATOM 0 HG SER A 21 12.005 3.180 10.907 1.00 63.24 H new ATOM 307 N MET A 22 9.689 3.121 8.000 1.00 75.23 N ATOM 308 CA MET A 22 9.194 4.330 7.343 1.00 44.32 C ATOM 309 C MET A 22 7.761 4.113 6.869 1.00 24.23 C ATOM 310 O MET A 22 7.161 4.988 6.238 1.00 53.02 O ATOM 311 CB MET A 22 10.093 4.713 6.160 1.00 73.22 C ATOM 312 CG MET A 22 10.103 3.690 5.030 1.00 30.21 C ATOM 313 SD MET A 22 11.112 4.213 3.630 1.00 51.13 S ATOM 314 CE MET A 22 10.327 5.764 3.195 1.00 51.33 C ATOM 0 H MET A 22 9.776 2.316 7.380 1.00 75.23 H new ATOM 0 HA MET A 22 9.211 5.149 8.063 1.00 44.32 H new ATOM 0 HB2 MET A 22 9.764 5.673 5.763 1.00 73.22 H new ATOM 0 HB3 MET A 22 11.112 4.850 6.521 1.00 73.22 H new ATOM 0 HG2 MET A 22 10.479 2.739 5.409 1.00 30.21 H new ATOM 0 HG3 MET A 22 9.081 3.517 4.692 1.00 30.21 H new ATOM 0 HE1 MET A 22 10.543 6.002 2.153 1.00 51.33 H new ATOM 0 HE2 MET A 22 9.249 5.677 3.331 1.00 51.33 H new ATOM 0 HE3 MET A 22 10.711 6.558 3.835 1.00 51.33 H new ATOM 324 N ILE A 23 7.228 2.931 7.168 1.00 34.54 N ATOM 325 CA ILE A 23 5.858 2.587 6.817 1.00 22.21 C ATOM 326 C ILE A 23 4.885 3.351 7.711 1.00 32.13 C ATOM 327 O ILE A 23 5.020 3.338 8.936 1.00 32.40 O ATOM 328 CB ILE A 23 5.603 1.065 6.964 1.00 0.22 C ATOM 329 CG1 ILE A 23 6.644 0.261 6.163 1.00 44.12 C ATOM 330 CG2 ILE A 23 4.182 0.707 6.522 1.00 23.03 C ATOM 331 CD1 ILE A 23 6.654 0.558 4.677 1.00 51.13 C ATOM 0 H ILE A 23 7.732 2.191 7.657 1.00 34.54 H new ATOM 0 HA ILE A 23 5.700 2.864 5.775 1.00 22.21 H new ATOM 0 HB ILE A 23 5.705 0.802 8.017 1.00 0.22 H new ATOM 0 HG12 ILE A 23 7.635 0.466 6.569 1.00 44.12 H new ATOM 0 HG13 ILE A 23 6.454 -0.803 6.308 1.00 44.12 H new ATOM 0 HG21 ILE A 23 4.026 -0.366 6.634 1.00 23.03 H new ATOM 0 HG22 ILE A 23 3.463 1.245 7.139 1.00 23.03 H new ATOM 0 HG23 ILE A 23 4.044 0.987 5.478 1.00 23.03 H new ATOM 0 HD11 ILE A 23 7.416 -0.051 4.189 1.00 51.13 H new ATOM 0 HD12 ILE A 23 5.677 0.325 4.253 1.00 51.13 H new ATOM 0 HD13 ILE A 23 6.876 1.613 4.518 1.00 51.13 H new ATOM 343 N GLU A 24 3.910 4.008 7.094 1.00 0.43 N ATOM 344 CA GLU A 24 2.956 4.837 7.821 1.00 34.54 C ATOM 345 C GLU A 24 1.828 3.972 8.383 1.00 21.01 C ATOM 346 O GLU A 24 1.488 2.943 7.802 1.00 3.43 O ATOM 347 CB GLU A 24 2.390 5.911 6.880 1.00 40.40 C ATOM 348 CG GLU A 24 1.705 7.069 7.592 1.00 73.25 C ATOM 349 CD GLU A 24 2.675 7.888 8.425 1.00 60.44 C ATOM 350 OE1 GLU A 24 3.492 8.627 7.832 1.00 21.25 O ATOM 351 OE2 GLU A 24 2.621 7.800 9.666 1.00 41.10 O ATOM 0 H GLU A 24 3.759 3.982 6.086 1.00 0.43 H new ATOM 0 HA GLU A 24 3.462 5.325 8.654 1.00 34.54 H new ATOM 0 HB2 GLU A 24 3.201 6.305 6.268 1.00 40.40 H new ATOM 0 HB3 GLU A 24 1.676 5.444 6.202 1.00 40.40 H new ATOM 0 HG2 GLU A 24 1.228 7.715 6.855 1.00 73.25 H new ATOM 0 HG3 GLU A 24 0.915 6.681 8.235 1.00 73.25 H new ATOM 358 N GLN A 25 1.249 4.386 9.507 1.00 2.11 N ATOM 359 CA GLN A 25 0.139 3.654 10.119 1.00 42.22 C ATOM 360 C GLN A 25 -1.107 4.535 10.202 1.00 65.50 C ATOM 361 O GLN A 25 -1.046 5.681 10.660 1.00 11.03 O ATOM 362 CB GLN A 25 0.517 3.125 11.518 1.00 72.13 C ATOM 363 CG GLN A 25 0.998 4.194 12.503 1.00 12.43 C ATOM 364 CD GLN A 25 2.393 4.715 12.193 1.00 12.43 C ATOM 365 OE1 GLN A 25 3.231 3.999 11.645 1.00 14.24 O ATOM 366 NE2 GLN A 25 2.654 5.965 12.547 1.00 50.44 N ATOM 0 H GLN A 25 1.529 5.225 10.015 1.00 2.11 H new ATOM 0 HA GLN A 25 -0.081 2.796 9.484 1.00 42.22 H new ATOM 0 HB2 GLN A 25 -0.349 2.621 11.946 1.00 72.13 H new ATOM 0 HB3 GLN A 25 1.300 2.375 11.407 1.00 72.13 H new ATOM 0 HG2 GLN A 25 0.296 5.028 12.494 1.00 12.43 H new ATOM 0 HG3 GLN A 25 0.988 3.780 13.511 1.00 12.43 H new ATOM 0 HE21 GLN A 25 1.934 6.528 12.999 1.00 50.44 H new ATOM 0 HE22 GLN A 25 3.575 6.364 12.367 1.00 50.44 H new ATOM 375 N ILE A 26 -2.232 3.994 9.735 1.00 52.12 N ATOM 376 CA ILE A 26 -3.518 4.688 9.763 1.00 3.51 C ATOM 377 C ILE A 26 -4.631 3.724 10.161 1.00 74.35 C ATOM 378 O ILE A 26 -4.394 2.527 10.350 1.00 15.02 O ATOM 379 CB ILE A 26 -3.873 5.329 8.393 1.00 31.44 C ATOM 380 CG1 ILE A 26 -3.851 4.269 7.273 1.00 63.14 C ATOM 381 CG2 ILE A 26 -2.926 6.484 8.075 1.00 71.23 C ATOM 382 CD1 ILE A 26 -4.284 4.795 5.918 1.00 31.44 C ATOM 0 H ILE A 26 -2.277 3.061 9.326 1.00 52.12 H new ATOM 0 HA ILE A 26 -3.428 5.487 10.499 1.00 3.51 H new ATOM 0 HB ILE A 26 -4.884 5.732 8.455 1.00 31.44 H new ATOM 0 HG12 ILE A 26 -2.842 3.865 7.189 1.00 63.14 H new ATOM 0 HG13 ILE A 26 -4.503 3.443 7.556 1.00 63.14 H new ATOM 0 HG21 ILE A 26 -3.193 6.918 7.111 1.00 71.23 H new ATOM 0 HG22 ILE A 26 -3.007 7.245 8.851 1.00 71.23 H new ATOM 0 HG23 ILE A 26 -1.901 6.114 8.035 1.00 71.23 H new ATOM 0 HD11 ILE A 26 -4.241 3.990 5.185 1.00 31.44 H new ATOM 0 HD12 ILE A 26 -5.304 5.173 5.983 1.00 31.44 H new ATOM 0 HD13 ILE A 26 -3.618 5.601 5.611 1.00 31.44 H new ATOM 394 N GLY A 27 -5.844 4.249 10.283 1.00 12.21 N ATOM 395 CA GLY A 27 -6.981 3.431 10.649 1.00 61.43 C ATOM 396 C GLY A 27 -8.062 3.440 9.592 1.00 12.01 C ATOM 397 O GLY A 27 -7.927 4.098 8.557 1.00 50.10 O ATOM 0 H GLY A 27 -6.060 5.235 10.133 1.00 12.21 H new ATOM 0 HA2 GLY A 27 -6.649 2.406 10.816 1.00 61.43 H new ATOM 0 HA3 GLY A 27 -7.395 3.790 11.591 1.00 61.43 H new ATOM 401 N ASP A 28 -9.142 2.722 9.879 1.00 74.20 N ATOM 402 CA ASP A 28 -10.270 2.565 8.960 1.00 40.20 C ATOM 403 C ASP A 28 -10.806 3.925 8.505 1.00 62.41 C ATOM 404 O ASP A 28 -11.008 4.161 7.313 1.00 64.41 O ATOM 405 CB ASP A 28 -11.382 1.764 9.658 1.00 14.55 C ATOM 406 CG ASP A 28 -12.556 1.423 8.746 1.00 44.23 C ATOM 407 OD1 ASP A 28 -13.420 2.297 8.526 1.00 65.04 O ATOM 408 OD2 ASP A 28 -12.635 0.265 8.272 1.00 53.31 O ATOM 0 H ASP A 28 -9.263 2.227 10.763 1.00 74.20 H new ATOM 0 HA ASP A 28 -9.929 2.029 8.074 1.00 40.20 H new ATOM 0 HB2 ASP A 28 -10.959 0.840 10.052 1.00 14.55 H new ATOM 0 HB3 ASP A 28 -11.749 2.336 10.510 1.00 14.55 H new ATOM 413 N SER A 29 -11.003 4.821 9.467 1.00 23.11 N ATOM 414 CA SER A 29 -11.606 6.125 9.206 1.00 4.00 C ATOM 415 C SER A 29 -10.620 7.079 8.516 1.00 10.43 C ATOM 416 O SER A 29 -11.031 8.056 7.887 1.00 12.41 O ATOM 417 CB SER A 29 -12.109 6.734 10.523 1.00 23.34 C ATOM 418 OG SER A 29 -12.752 7.984 10.315 1.00 5.12 O ATOM 0 H SER A 29 -10.751 4.666 10.443 1.00 23.11 H new ATOM 0 HA SER A 29 -12.447 5.981 8.528 1.00 4.00 H new ATOM 0 HB2 SER A 29 -12.804 6.043 11.001 1.00 23.34 H new ATOM 0 HB3 SER A 29 -11.270 6.866 11.206 1.00 23.34 H new ATOM 0 HG SER A 29 -13.060 8.340 11.174 1.00 5.12 H new ATOM 424 N GLU A 30 -9.324 6.793 8.631 1.00 63.54 N ATOM 425 CA GLU A 30 -8.291 7.658 8.051 1.00 23.32 C ATOM 426 C GLU A 30 -7.935 7.210 6.636 1.00 44.43 C ATOM 427 O GLU A 30 -7.212 7.908 5.924 1.00 74.33 O ATOM 428 CB GLU A 30 -7.017 7.656 8.916 1.00 32.31 C ATOM 429 CG GLU A 30 -7.179 8.300 10.291 1.00 2.31 C ATOM 430 CD GLU A 30 -8.111 7.530 11.209 1.00 3.21 C ATOM 431 OE1 GLU A 30 -7.719 6.446 11.690 1.00 2.14 O ATOM 432 OE2 GLU A 30 -9.237 8.003 11.459 1.00 12.42 O ATOM 0 H GLU A 30 -8.963 5.973 9.118 1.00 63.54 H new ATOM 0 HA GLU A 30 -8.698 8.669 8.017 1.00 23.32 H new ATOM 0 HB2 GLU A 30 -6.686 6.626 9.049 1.00 32.31 H new ATOM 0 HB3 GLU A 30 -6.227 8.178 8.376 1.00 32.31 H new ATOM 0 HG2 GLU A 30 -6.200 8.382 10.764 1.00 2.31 H new ATOM 0 HG3 GLU A 30 -7.559 9.314 10.167 1.00 2.31 H new ATOM 439 N PHE A 31 -8.455 6.055 6.238 1.00 32.31 N ATOM 440 CA PHE A 31 -8.086 5.430 4.970 1.00 65.23 C ATOM 441 C PHE A 31 -8.266 6.387 3.786 1.00 60.25 C ATOM 442 O PHE A 31 -7.289 6.775 3.136 1.00 3.04 O ATOM 443 CB PHE A 31 -8.932 4.163 4.769 1.00 20.34 C ATOM 444 CG PHE A 31 -8.750 3.496 3.428 1.00 74.42 C ATOM 445 CD1 PHE A 31 -7.641 2.701 3.175 1.00 44.11 C ATOM 446 CD2 PHE A 31 -9.697 3.660 2.423 1.00 34.43 C ATOM 447 CE1 PHE A 31 -7.481 2.085 1.949 1.00 41.45 C ATOM 448 CE2 PHE A 31 -9.538 3.048 1.197 1.00 11.33 C ATOM 449 CZ PHE A 31 -8.431 2.261 0.960 1.00 32.24 C ATOM 0 H PHE A 31 -9.140 5.527 6.779 1.00 32.31 H new ATOM 0 HA PHE A 31 -7.029 5.169 5.011 1.00 65.23 H new ATOM 0 HB2 PHE A 31 -8.684 3.448 5.553 1.00 20.34 H new ATOM 0 HB3 PHE A 31 -9.984 4.420 4.893 1.00 20.34 H new ATOM 0 HD1 PHE A 31 -6.896 2.563 3.944 1.00 44.11 H new ATOM 0 HD2 PHE A 31 -10.567 4.274 2.604 1.00 34.43 H new ATOM 0 HE1 PHE A 31 -6.615 1.467 1.763 1.00 41.45 H new ATOM 0 HE2 PHE A 31 -10.280 3.185 0.424 1.00 11.33 H new ATOM 0 HZ PHE A 31 -8.306 1.781 0.000 1.00 32.24 H new ATOM 459 N ASP A 32 -9.505 6.811 3.549 1.00 24.43 N ATOM 460 CA ASP A 32 -9.821 7.648 2.390 1.00 32.20 C ATOM 461 C ASP A 32 -9.061 8.965 2.449 1.00 43.25 C ATOM 462 O ASP A 32 -8.448 9.387 1.469 1.00 23.45 O ATOM 463 CB ASP A 32 -11.328 7.924 2.306 1.00 52.03 C ATOM 464 CG ASP A 32 -12.147 6.668 2.049 1.00 42.13 C ATOM 465 OD1 ASP A 32 -12.370 6.324 0.867 1.00 51.42 O ATOM 466 OD2 ASP A 32 -12.568 6.015 3.029 1.00 52.12 O ATOM 0 H ASP A 32 -10.306 6.591 4.141 1.00 24.43 H new ATOM 0 HA ASP A 32 -9.514 7.103 1.497 1.00 32.20 H new ATOM 0 HB2 ASP A 32 -11.660 8.384 3.237 1.00 52.03 H new ATOM 0 HB3 ASP A 32 -11.516 8.644 1.509 1.00 52.03 H new ATOM 471 N ASN A 33 -9.105 9.601 3.614 1.00 2.04 N ATOM 472 CA ASN A 33 -8.465 10.895 3.823 1.00 71.34 C ATOM 473 C ASN A 33 -6.980 10.846 3.470 1.00 30.12 C ATOM 474 O ASN A 33 -6.508 11.617 2.634 1.00 22.03 O ATOM 475 CB ASN A 33 -8.640 11.350 5.281 1.00 23.54 C ATOM 476 CG ASN A 33 -10.089 11.646 5.643 1.00 2.22 C ATOM 477 OD1 ASN A 33 -11.018 11.057 5.090 1.00 33.34 O ATOM 478 ND2 ASN A 33 -10.290 12.555 6.584 1.00 41.12 N ATOM 0 H ASN A 33 -9.583 9.236 4.438 1.00 2.04 H new ATOM 0 HA ASN A 33 -8.949 11.613 3.161 1.00 71.34 H new ATOM 0 HB2 ASN A 33 -8.256 10.576 5.946 1.00 23.54 H new ATOM 0 HB3 ASN A 33 -8.039 12.243 5.451 1.00 23.54 H new ATOM 0 HD21 ASN A 33 -11.240 12.788 6.873 1.00 41.12 H new ATOM 0 HD22 ASN A 33 -9.495 13.022 7.020 1.00 41.12 H new ATOM 485 N LYS A 34 -6.252 9.920 4.088 1.00 5.32 N ATOM 486 CA LYS A 34 -4.800 9.858 3.930 1.00 51.24 C ATOM 487 C LYS A 34 -4.407 9.373 2.535 1.00 4.35 C ATOM 488 O LYS A 34 -3.379 9.795 2.000 1.00 2.23 O ATOM 489 CB LYS A 34 -4.171 8.973 5.018 1.00 61.42 C ATOM 490 CG LYS A 34 -4.414 9.482 6.440 1.00 32.12 C ATOM 491 CD LYS A 34 -4.052 10.962 6.583 1.00 72.12 C ATOM 492 CE LYS A 34 -4.341 11.492 7.984 1.00 21.35 C ATOM 493 NZ LYS A 34 -3.358 11.010 8.990 1.00 1.03 N ATOM 0 H LYS A 34 -6.641 9.204 4.701 1.00 5.32 H new ATOM 0 HA LYS A 34 -4.411 10.870 4.045 1.00 51.24 H new ATOM 0 HB2 LYS A 34 -4.572 7.963 4.929 1.00 61.42 H new ATOM 0 HB3 LYS A 34 -3.097 8.906 4.844 1.00 61.42 H new ATOM 0 HG2 LYS A 34 -5.462 9.337 6.704 1.00 32.12 H new ATOM 0 HG3 LYS A 34 -3.824 8.894 7.143 1.00 32.12 H new ATOM 0 HD2 LYS A 34 -2.995 11.100 6.355 1.00 72.12 H new ATOM 0 HD3 LYS A 34 -4.614 11.544 5.853 1.00 72.12 H new ATOM 0 HE2 LYS A 34 -4.332 12.582 7.965 1.00 21.35 H new ATOM 0 HE3 LYS A 34 -5.343 11.186 8.285 1.00 21.35 H new ATOM 0 HZ1 LYS A 34 -3.599 11.398 9.924 1.00 1.03 H new ATOM 0 HZ2 LYS A 34 -3.383 9.971 9.030 1.00 1.03 H new ATOM 0 HZ3 LYS A 34 -2.404 11.323 8.720 1.00 1.03 H new ATOM 507 N VAL A 35 -5.224 8.503 1.941 1.00 61.41 N ATOM 508 CA VAL A 35 -4.972 8.041 0.575 1.00 41.34 C ATOM 509 C VAL A 35 -5.163 9.182 -0.432 1.00 2.31 C ATOM 510 O VAL A 35 -4.407 9.305 -1.397 1.00 61.42 O ATOM 511 CB VAL A 35 -5.879 6.838 0.198 1.00 24.12 C ATOM 512 CG1 VAL A 35 -5.784 6.526 -1.295 1.00 62.32 C ATOM 513 CG2 VAL A 35 -5.499 5.609 1.025 1.00 64.32 C ATOM 0 H VAL A 35 -6.057 8.107 2.378 1.00 61.41 H new ATOM 0 HA VAL A 35 -3.936 7.706 0.535 1.00 41.34 H new ATOM 0 HB VAL A 35 -6.911 7.107 0.421 1.00 24.12 H new ATOM 0 HG11 VAL A 35 -6.429 5.680 -1.532 1.00 62.32 H new ATOM 0 HG12 VAL A 35 -6.102 7.396 -1.869 1.00 62.32 H new ATOM 0 HG13 VAL A 35 -4.753 6.279 -1.550 1.00 62.32 H new ATOM 0 HG21 VAL A 35 -6.142 4.773 0.751 1.00 64.32 H new ATOM 0 HG22 VAL A 35 -4.459 5.346 0.830 1.00 64.32 H new ATOM 0 HG23 VAL A 35 -5.624 5.831 2.085 1.00 64.32 H new ATOM 523 N THR A 36 -6.168 10.022 -0.200 1.00 61.34 N ATOM 524 CA THR A 36 -6.430 11.159 -1.083 1.00 52.40 C ATOM 525 C THR A 36 -5.528 12.344 -0.733 1.00 51.23 C ATOM 526 O THR A 36 -5.296 13.227 -1.561 1.00 1.31 O ATOM 527 CB THR A 36 -7.912 11.595 -1.015 1.00 51.24 C ATOM 528 OG1 THR A 36 -8.281 11.878 0.343 1.00 40.33 O ATOM 529 CG2 THR A 36 -8.828 10.513 -1.578 1.00 11.24 C ATOM 0 H THR A 36 -6.812 9.939 0.587 1.00 61.34 H new ATOM 0 HA THR A 36 -6.210 10.835 -2.100 1.00 52.40 H new ATOM 0 HB THR A 36 -8.026 12.495 -1.619 1.00 51.24 H new ATOM 0 HG1 THR A 36 -8.447 11.038 0.819 1.00 40.33 H new ATOM 0 HG21 THR A 36 -9.864 10.846 -1.518 1.00 11.24 H new ATOM 0 HG22 THR A 36 -8.568 10.322 -2.619 1.00 11.24 H new ATOM 0 HG23 THR A 36 -8.707 9.597 -1.000 1.00 11.24 H new ATOM 537 N SER A 37 -5.004 12.343 0.492 1.00 1.24 N ATOM 538 CA SER A 37 -4.149 13.427 0.984 1.00 30.10 C ATOM 539 C SER A 37 -2.762 13.418 0.318 1.00 12.10 C ATOM 540 O SER A 37 -1.883 14.200 0.690 1.00 34.34 O ATOM 541 CB SER A 37 -4.014 13.329 2.512 1.00 41.21 C ATOM 542 OG SER A 37 -3.327 14.446 3.052 1.00 4.20 O ATOM 0 H SER A 37 -5.158 11.596 1.169 1.00 1.24 H new ATOM 0 HA SER A 37 -4.623 14.372 0.720 1.00 30.10 H new ATOM 0 HB2 SER A 37 -5.005 13.260 2.961 1.00 41.21 H new ATOM 0 HB3 SER A 37 -3.482 12.414 2.772 1.00 41.21 H new ATOM 0 HG SER A 37 -2.619 14.724 2.434 1.00 4.20 H new ATOM 548 N CYS A 38 -2.568 12.539 -0.664 1.00 61.12 N ATOM 549 CA CYS A 38 -1.323 12.507 -1.428 1.00 1.11 C ATOM 550 C CYS A 38 -1.062 13.872 -2.068 1.00 53.21 C ATOM 551 O CYS A 38 -2.001 14.543 -2.506 1.00 15.21 O ATOM 552 CB CYS A 38 -1.408 11.426 -2.510 1.00 22.20 C ATOM 553 SG CYS A 38 -2.789 11.641 -3.654 1.00 31.05 S ATOM 0 H CYS A 38 -3.256 11.841 -0.948 1.00 61.12 H new ATOM 0 HA CYS A 38 -0.498 12.274 -0.755 1.00 1.11 H new ATOM 0 HB2 CYS A 38 -0.477 11.420 -3.077 1.00 22.20 H new ATOM 0 HB3 CYS A 38 -1.495 10.451 -2.030 1.00 22.20 H new ATOM 0 HG CYS A 38 -3.094 12.902 -3.734 1.00 31.05 H new ATOM 559 N ASN A 39 0.205 14.287 -2.110 1.00 52.40 N ATOM 560 CA ASN A 39 0.568 15.591 -2.668 1.00 72.25 C ATOM 561 C ASN A 39 0.119 15.694 -4.129 1.00 60.40 C ATOM 562 O ASN A 39 -0.868 16.363 -4.435 1.00 3.33 O ATOM 563 CB ASN A 39 2.079 15.834 -2.548 1.00 54.15 C ATOM 564 CG ASN A 39 2.476 17.241 -2.971 1.00 4.21 C ATOM 565 OD1 ASN A 39 2.458 18.172 -2.162 1.00 34.30 O ATOM 566 ND2 ASN A 39 2.859 17.406 -4.226 1.00 44.31 N ATOM 0 H ASN A 39 0.995 13.741 -1.766 1.00 52.40 H new ATOM 0 HA ASN A 39 0.054 16.362 -2.095 1.00 72.25 H new ATOM 0 HB2 ASN A 39 2.390 15.666 -1.517 1.00 54.15 H new ATOM 0 HB3 ASN A 39 2.611 15.109 -3.164 1.00 54.15 H new ATOM 0 HD21 ASN A 39 3.152 18.327 -4.553 1.00 44.31 H new ATOM 0 HD22 ASN A 39 2.861 16.613 -4.867 1.00 44.31 H new ATOM 573 N ASP A 40 0.833 15.013 -5.022 1.00 4.04 N ATOM 574 CA ASP A 40 0.444 14.947 -6.433 1.00 43.45 C ATOM 575 C ASP A 40 0.971 13.660 -7.056 1.00 23.13 C ATOM 576 O ASP A 40 2.173 13.402 -7.022 1.00 0.15 O ATOM 577 CB ASP A 40 0.978 16.168 -7.206 1.00 23.11 C ATOM 578 CG ASP A 40 0.527 16.188 -8.664 1.00 33.33 C ATOM 579 OD1 ASP A 40 -0.578 16.699 -8.945 1.00 21.03 O ATOM 580 OD2 ASP A 40 1.278 15.705 -9.539 1.00 35.34 O ATOM 0 H ASP A 40 1.684 14.498 -4.796 1.00 4.04 H new ATOM 0 HA ASP A 40 -0.644 14.955 -6.493 1.00 43.45 H new ATOM 0 HB2 ASP A 40 0.641 17.080 -6.714 1.00 23.11 H new ATOM 0 HB3 ASP A 40 2.067 16.169 -7.167 1.00 23.11 H new ATOM 585 N ASN A 41 0.057 12.849 -7.594 1.00 35.32 N ATOM 586 CA ASN A 41 0.408 11.591 -8.268 1.00 34.53 C ATOM 587 C ASN A 41 1.232 10.658 -7.376 1.00 72.33 C ATOM 588 O ASN A 41 1.910 9.757 -7.872 1.00 74.12 O ATOM 589 CB ASN A 41 1.153 11.875 -9.584 1.00 20.51 C ATOM 590 CG ASN A 41 0.207 12.249 -10.712 1.00 64.14 C ATOM 591 OD1 ASN A 41 -0.225 11.389 -11.481 1.00 11.31 O ATOM 592 ND2 ASN A 41 -0.133 13.524 -10.812 1.00 40.10 N ATOM 0 H ASN A 41 -0.944 13.042 -7.576 1.00 35.32 H new ATOM 0 HA ASN A 41 -0.527 11.076 -8.490 1.00 34.53 H new ATOM 0 HB2 ASN A 41 1.867 12.684 -9.428 1.00 20.51 H new ATOM 0 HB3 ASN A 41 1.727 10.994 -9.871 1.00 20.51 H new ATOM 0 HD21 ASN A 41 -0.775 13.825 -11.546 1.00 40.10 H new ATOM 0 HD22 ASN A 41 0.247 14.206 -10.155 1.00 40.10 H new ATOM 599 N ILE A 42 1.144 10.851 -6.064 1.00 51.13 N ATOM 600 CA ILE A 42 1.858 9.996 -5.121 1.00 41.51 C ATOM 601 C ILE A 42 1.169 8.638 -5.018 1.00 11.00 C ATOM 602 O ILE A 42 0.027 8.543 -4.557 1.00 11.41 O ATOM 603 CB ILE A 42 1.952 10.640 -3.713 1.00 72.52 C ATOM 604 CG1 ILE A 42 2.710 11.977 -3.777 1.00 60.43 C ATOM 605 CG2 ILE A 42 2.628 9.685 -2.723 1.00 74.00 C ATOM 606 CD1 ILE A 42 4.147 11.849 -4.242 1.00 32.50 C ATOM 0 H ILE A 42 0.588 11.588 -5.631 1.00 51.13 H new ATOM 0 HA ILE A 42 2.872 9.868 -5.500 1.00 41.51 H new ATOM 0 HB ILE A 42 0.939 10.836 -3.361 1.00 72.52 H new ATOM 0 HG12 ILE A 42 2.180 12.652 -4.449 1.00 60.43 H new ATOM 0 HG13 ILE A 42 2.698 12.437 -2.789 1.00 60.43 H new ATOM 0 HG21 ILE A 42 2.683 10.157 -1.742 1.00 74.00 H new ATOM 0 HG22 ILE A 42 2.048 8.765 -2.651 1.00 74.00 H new ATOM 0 HG23 ILE A 42 3.634 9.453 -3.071 1.00 74.00 H new ATOM 0 HD11 ILE A 42 4.613 12.834 -4.260 1.00 32.50 H new ATOM 0 HD12 ILE A 42 4.695 11.201 -3.557 1.00 32.50 H new ATOM 0 HD13 ILE A 42 4.168 11.419 -5.243 1.00 32.50 H new ATOM 618 N LEU A 43 1.858 7.602 -5.480 1.00 12.53 N ATOM 619 CA LEU A 43 1.363 6.239 -5.402 1.00 35.03 C ATOM 620 C LEU A 43 1.423 5.769 -3.948 1.00 33.23 C ATOM 621 O LEU A 43 2.504 5.641 -3.360 1.00 23.33 O ATOM 622 CB LEU A 43 2.195 5.318 -6.321 1.00 1.11 C ATOM 623 CG LEU A 43 1.457 4.100 -6.915 1.00 20.14 C ATOM 624 CD1 LEU A 43 2.388 3.306 -7.827 1.00 25.42 C ATOM 625 CD2 LEU A 43 0.879 3.201 -5.821 1.00 43.25 C ATOM 0 H LEU A 43 2.775 7.686 -5.919 1.00 12.53 H new ATOM 0 HA LEU A 43 0.328 6.200 -5.742 1.00 35.03 H new ATOM 0 HB2 LEU A 43 2.585 5.917 -7.144 1.00 1.11 H new ATOM 0 HB3 LEU A 43 3.054 4.956 -5.756 1.00 1.11 H new ATOM 0 HG LEU A 43 0.621 4.475 -7.506 1.00 20.14 H new ATOM 0 HD11 LEU A 43 1.852 2.450 -8.238 1.00 25.42 H new ATOM 0 HD12 LEU A 43 2.731 3.944 -8.641 1.00 25.42 H new ATOM 0 HD13 LEU A 43 3.247 2.956 -7.254 1.00 25.42 H new ATOM 0 HD21 LEU A 43 0.367 2.354 -6.279 1.00 43.25 H new ATOM 0 HD22 LEU A 43 1.686 2.837 -5.185 1.00 43.25 H new ATOM 0 HD23 LEU A 43 0.171 3.770 -5.218 1.00 43.25 H new ATOM 637 N ILE A 44 0.257 5.545 -3.369 1.00 2.12 N ATOM 638 CA ILE A 44 0.146 5.144 -1.978 1.00 74.34 C ATOM 639 C ILE A 44 -0.231 3.671 -1.865 1.00 33.03 C ATOM 640 O ILE A 44 -1.320 3.262 -2.272 1.00 32.44 O ATOM 641 CB ILE A 44 -0.901 6.010 -1.230 1.00 63.52 C ATOM 642 CG1 ILE A 44 -0.455 7.482 -1.212 1.00 55.03 C ATOM 643 CG2 ILE A 44 -1.115 5.489 0.187 1.00 43.43 C ATOM 644 CD1 ILE A 44 -1.374 8.401 -0.428 1.00 75.24 C ATOM 0 H ILE A 44 -0.638 5.636 -3.849 1.00 2.12 H new ATOM 0 HA ILE A 44 1.121 5.296 -1.515 1.00 74.34 H new ATOM 0 HB ILE A 44 -1.852 5.944 -1.759 1.00 63.52 H new ATOM 0 HG12 ILE A 44 0.547 7.541 -0.788 1.00 55.03 H new ATOM 0 HG13 ILE A 44 -0.389 7.842 -2.239 1.00 55.03 H new ATOM 0 HG21 ILE A 44 -1.853 6.110 0.695 1.00 43.43 H new ATOM 0 HG22 ILE A 44 -1.473 4.460 0.146 1.00 43.43 H new ATOM 0 HG23 ILE A 44 -0.173 5.524 0.734 1.00 43.43 H new ATOM 0 HD11 ILE A 44 -0.988 9.420 -0.465 1.00 75.24 H new ATOM 0 HD12 ILE A 44 -2.373 8.375 -0.864 1.00 75.24 H new ATOM 0 HD13 ILE A 44 -1.422 8.069 0.609 1.00 75.24 H new ATOM 656 N LEU A 45 0.681 2.875 -1.325 1.00 25.14 N ATOM 657 CA LEU A 45 0.415 1.465 -1.069 1.00 5.45 C ATOM 658 C LEU A 45 -0.105 1.302 0.352 1.00 33.41 C ATOM 659 O LEU A 45 0.176 2.130 1.215 1.00 53.12 O ATOM 660 CB LEU A 45 1.679 0.606 -1.255 1.00 52.45 C ATOM 661 CG LEU A 45 2.249 0.535 -2.686 1.00 33.52 C ATOM 662 CD1 LEU A 45 2.898 1.856 -3.092 1.00 11.03 C ATOM 663 CD2 LEU A 45 3.244 -0.617 -2.811 1.00 71.20 C ATOM 0 H LEU A 45 1.615 3.182 -1.055 1.00 25.14 H new ATOM 0 HA LEU A 45 -0.331 1.124 -1.787 1.00 5.45 H new ATOM 0 HB2 LEU A 45 2.456 0.992 -0.595 1.00 52.45 H new ATOM 0 HB3 LEU A 45 1.456 -0.408 -0.924 1.00 52.45 H new ATOM 0 HG LEU A 45 1.419 0.351 -3.368 1.00 33.52 H new ATOM 0 HD11 LEU A 45 3.290 1.772 -4.106 1.00 11.03 H new ATOM 0 HD12 LEU A 45 2.155 2.653 -3.054 1.00 11.03 H new ATOM 0 HD13 LEU A 45 3.713 2.087 -2.406 1.00 11.03 H new ATOM 0 HD21 LEU A 45 3.635 -0.651 -3.828 1.00 71.20 H new ATOM 0 HD22 LEU A 45 4.066 -0.466 -2.111 1.00 71.20 H new ATOM 0 HD23 LEU A 45 2.742 -1.558 -2.584 1.00 71.20 H new ATOM 675 N VAL A 46 -0.869 0.247 0.588 1.00 2.11 N ATOM 676 CA VAL A 46 -1.372 -0.065 1.918 1.00 65.52 C ATOM 677 C VAL A 46 -1.138 -1.534 2.215 1.00 2.35 C ATOM 678 O VAL A 46 -1.826 -2.401 1.682 1.00 22.52 O ATOM 679 CB VAL A 46 -2.883 0.261 2.060 1.00 35.50 C ATOM 680 CG1 VAL A 46 -3.381 -0.078 3.466 1.00 1.32 C ATOM 681 CG2 VAL A 46 -3.163 1.727 1.722 1.00 3.33 C ATOM 0 H VAL A 46 -1.157 -0.415 -0.133 1.00 2.11 H new ATOM 0 HA VAL A 46 -0.832 0.556 2.633 1.00 65.52 H new ATOM 0 HB VAL A 46 -3.429 -0.357 1.347 1.00 35.50 H new ATOM 0 HG11 VAL A 46 -4.442 0.158 3.543 1.00 1.32 H new ATOM 0 HG12 VAL A 46 -3.231 -1.140 3.659 1.00 1.32 H new ATOM 0 HG13 VAL A 46 -2.825 0.506 4.200 1.00 1.32 H new ATOM 0 HG21 VAL A 46 -4.229 1.928 1.830 1.00 3.33 H new ATOM 0 HG22 VAL A 46 -2.602 2.370 2.400 1.00 3.33 H new ATOM 0 HG23 VAL A 46 -2.858 1.928 0.695 1.00 3.33 H new ATOM 691 N ASP A 47 -0.152 -1.810 3.052 1.00 1.11 N ATOM 692 CA ASP A 47 0.232 -3.178 3.360 1.00 43.34 C ATOM 693 C ASP A 47 -0.470 -3.656 4.622 1.00 51.15 C ATOM 694 O ASP A 47 -0.974 -2.851 5.412 1.00 14.24 O ATOM 695 CB ASP A 47 1.753 -3.285 3.562 1.00 65.21 C ATOM 696 CG ASP A 47 2.181 -2.916 4.978 1.00 52.32 C ATOM 697 OD1 ASP A 47 2.425 -1.722 5.249 1.00 2.14 O ATOM 698 OD2 ASP A 47 2.265 -3.822 5.835 1.00 1.12 O ATOM 0 H ASP A 47 0.400 -1.100 3.533 1.00 1.11 H new ATOM 0 HA ASP A 47 -0.064 -3.804 2.518 1.00 43.34 H new ATOM 0 HB2 ASP A 47 2.075 -4.303 3.342 1.00 65.21 H new ATOM 0 HB3 ASP A 47 2.258 -2.631 2.851 1.00 65.21 H new ATOM 703 N PHE A 48 -0.506 -4.966 4.798 1.00 15.31 N ATOM 704 CA PHE A 48 -0.910 -5.554 6.060 1.00 34.11 C ATOM 705 C PHE A 48 -0.090 -6.812 6.340 1.00 50.01 C ATOM 706 O PHE A 48 -0.458 -7.913 5.925 1.00 31.12 O ATOM 707 CB PHE A 48 -2.415 -5.869 6.063 1.00 62.25 C ATOM 708 CG PHE A 48 -2.936 -6.303 7.413 1.00 52.15 C ATOM 709 CD1 PHE A 48 -2.955 -5.415 8.481 1.00 61.24 C ATOM 710 CD2 PHE A 48 -3.405 -7.592 7.616 1.00 41.53 C ATOM 711 CE1 PHE A 48 -3.430 -5.805 9.719 1.00 3.45 C ATOM 712 CE2 PHE A 48 -3.883 -7.987 8.850 1.00 70.10 C ATOM 713 CZ PHE A 48 -3.893 -7.093 9.903 1.00 10.30 C ATOM 0 H PHE A 48 -0.259 -5.644 4.077 1.00 15.31 H new ATOM 0 HA PHE A 48 -0.721 -4.832 6.854 1.00 34.11 H new ATOM 0 HB2 PHE A 48 -2.964 -4.985 5.737 1.00 62.25 H new ATOM 0 HB3 PHE A 48 -2.615 -6.655 5.335 1.00 62.25 H new ATOM 0 HD1 PHE A 48 -2.594 -4.407 8.342 1.00 61.24 H new ATOM 0 HD2 PHE A 48 -3.396 -8.297 6.798 1.00 41.53 H new ATOM 0 HE1 PHE A 48 -3.439 -5.104 10.541 1.00 3.45 H new ATOM 0 HE2 PHE A 48 -4.248 -8.993 8.992 1.00 70.10 H new ATOM 0 HZ PHE A 48 -4.263 -7.401 10.870 1.00 10.30 H new ATOM 723 N TRP A 49 1.068 -6.629 6.978 1.00 50.21 N ATOM 724 CA TRP A 49 1.858 -7.752 7.479 1.00 54.23 C ATOM 725 C TRP A 49 1.731 -7.835 8.996 1.00 10.14 C ATOM 726 O TRP A 49 1.204 -6.920 9.635 1.00 20.43 O ATOM 727 CB TRP A 49 3.342 -7.644 7.062 1.00 12.15 C ATOM 728 CG TRP A 49 4.052 -6.390 7.511 1.00 52.25 C ATOM 729 CD1 TRP A 49 4.227 -5.939 8.793 1.00 4.12 C ATOM 730 CD2 TRP A 49 4.724 -5.444 6.667 1.00 72.05 C ATOM 731 NE1 TRP A 49 4.935 -4.761 8.789 1.00 4.33 N ATOM 732 CE2 TRP A 49 5.255 -4.441 7.499 1.00 41.11 C ATOM 733 CE3 TRP A 49 4.918 -5.344 5.287 1.00 12.54 C ATOM 734 CZ2 TRP A 49 5.966 -3.358 6.997 1.00 71.14 C ATOM 735 CZ3 TRP A 49 5.628 -4.267 4.792 1.00 21.34 C ATOM 736 CH2 TRP A 49 6.145 -3.286 5.646 1.00 24.50 C ATOM 0 H TRP A 49 1.478 -5.713 7.159 1.00 50.21 H new ATOM 0 HA TRP A 49 1.466 -8.666 7.033 1.00 54.23 H new ATOM 0 HB2 TRP A 49 3.877 -8.506 7.460 1.00 12.15 H new ATOM 0 HB3 TRP A 49 3.402 -7.706 5.975 1.00 12.15 H new ATOM 0 HD1 TRP A 49 3.861 -6.437 9.679 1.00 4.12 H new ATOM 0 HE1 TRP A 49 5.182 -4.214 9.614 1.00 4.33 H new ATOM 0 HE3 TRP A 49 4.520 -6.094 4.620 1.00 12.54 H new ATOM 0 HZ2 TRP A 49 6.364 -2.599 7.654 1.00 71.14 H new ATOM 0 HZ3 TRP A 49 5.787 -4.181 3.727 1.00 21.34 H new ATOM 0 HH2 TRP A 49 6.696 -2.456 5.228 1.00 24.50 H new ATOM 747 N ALA A 50 2.222 -8.927 9.573 1.00 31.21 N ATOM 748 CA ALA A 50 2.120 -9.153 11.010 1.00 54.31 C ATOM 749 C ALA A 50 3.144 -10.189 11.468 1.00 20.34 C ATOM 750 O ALA A 50 3.551 -11.049 10.684 1.00 1.23 O ATOM 751 CB ALA A 50 0.705 -9.600 11.374 1.00 5.23 C ATOM 0 H ALA A 50 2.697 -9.673 9.064 1.00 31.21 H new ATOM 0 HA ALA A 50 2.333 -8.216 11.524 1.00 54.31 H new ATOM 0 HB1 ALA A 50 0.641 -9.766 12.449 1.00 5.23 H new ATOM 0 HB2 ALA A 50 -0.007 -8.828 11.083 1.00 5.23 H new ATOM 0 HB3 ALA A 50 0.470 -10.526 10.850 1.00 5.23 H new ATOM 757 N PRO A 51 3.574 -10.126 12.748 1.00 11.13 N ATOM 758 CA PRO A 51 4.528 -11.095 13.321 1.00 53.32 C ATOM 759 C PRO A 51 3.994 -12.531 13.283 1.00 15.25 C ATOM 760 O PRO A 51 4.742 -13.491 13.465 1.00 12.22 O ATOM 761 CB PRO A 51 4.699 -10.618 14.775 1.00 50.23 C ATOM 762 CG PRO A 51 4.280 -9.186 14.763 1.00 74.11 C ATOM 763 CD PRO A 51 3.191 -9.091 13.731 1.00 45.21 C ATOM 0 HA PRO A 51 5.462 -11.126 12.760 1.00 53.32 H new ATOM 0 HB2 PRO A 51 4.083 -11.204 15.458 1.00 50.23 H new ATOM 0 HB3 PRO A 51 5.732 -10.724 15.106 1.00 50.23 H new ATOM 0 HG2 PRO A 51 3.919 -8.875 15.743 1.00 74.11 H new ATOM 0 HG3 PRO A 51 5.117 -8.535 14.510 1.00 74.11 H new ATOM 0 HD2 PRO A 51 2.209 -9.287 14.161 1.00 45.21 H new ATOM 0 HD3 PRO A 51 3.149 -8.100 13.278 1.00 45.21 H new ATOM 771 N TRP A 52 2.691 -12.664 13.040 1.00 40.42 N ATOM 772 CA TRP A 52 2.032 -13.971 12.968 1.00 60.24 C ATOM 773 C TRP A 52 2.130 -14.543 11.548 1.00 32.52 C ATOM 774 O TRP A 52 1.394 -15.464 11.177 1.00 23.15 O ATOM 775 CB TRP A 52 0.561 -13.833 13.388 1.00 24.40 C ATOM 776 CG TRP A 52 0.375 -13.042 14.654 1.00 24.43 C ATOM 777 CD1 TRP A 52 0.914 -13.312 15.881 1.00 10.15 C ATOM 778 CD2 TRP A 52 -0.407 -11.851 14.815 1.00 63.33 C ATOM 779 NE1 TRP A 52 0.523 -12.358 16.788 1.00 41.44 N ATOM 780 CE2 TRP A 52 -0.290 -11.452 16.159 1.00 71.23 C ATOM 781 CE3 TRP A 52 -1.190 -11.082 13.951 1.00 61.23 C ATOM 782 CZ2 TRP A 52 -0.927 -10.318 16.658 1.00 5.01 C ATOM 783 CZ3 TRP A 52 -1.825 -9.957 14.448 1.00 44.34 C ATOM 784 CH2 TRP A 52 -1.688 -9.583 15.789 1.00 3.01 C ATOM 0 H TRP A 52 2.063 -11.874 12.888 1.00 40.42 H new ATOM 0 HA TRP A 52 2.534 -14.659 13.649 1.00 60.24 H new ATOM 0 HB2 TRP A 52 0.004 -13.353 12.583 1.00 24.40 H new ATOM 0 HB3 TRP A 52 0.134 -14.827 13.523 1.00 24.40 H new ATOM 0 HD1 TRP A 52 1.554 -14.153 16.104 1.00 10.15 H new ATOM 0 HE1 TRP A 52 0.794 -12.329 17.771 1.00 41.44 H new ATOM 0 HE3 TRP A 52 -1.298 -11.360 12.913 1.00 61.23 H new ATOM 0 HZ2 TRP A 52 -0.824 -10.029 17.694 1.00 5.01 H new ATOM 0 HZ3 TRP A 52 -2.436 -9.358 13.789 1.00 44.34 H new ATOM 0 HH2 TRP A 52 -2.192 -8.697 16.146 1.00 3.01 H new ATOM 795 N CYS A 53 3.048 -13.987 10.766 1.00 34.00 N ATOM 796 CA CYS A 53 3.267 -14.390 9.381 1.00 43.20 C ATOM 797 C CYS A 53 4.727 -14.795 9.180 1.00 74.12 C ATOM 798 O CYS A 53 5.617 -14.299 9.877 1.00 10.43 O ATOM 799 CB CYS A 53 2.878 -13.236 8.449 1.00 12.24 C ATOM 800 SG CYS A 53 3.509 -13.371 6.745 1.00 52.34 S ATOM 0 H CYS A 53 3.666 -13.238 11.077 1.00 34.00 H new ATOM 0 HA CYS A 53 2.644 -15.253 9.144 1.00 43.20 H new ATOM 0 HB2 CYS A 53 1.791 -13.170 8.413 1.00 12.24 H new ATOM 0 HB3 CYS A 53 3.240 -12.303 8.881 1.00 12.24 H new ATOM 805 N GLY A 54 4.962 -15.706 8.239 1.00 54.40 N ATOM 806 CA GLY A 54 6.293 -16.259 8.035 1.00 5.34 C ATOM 807 C GLY A 54 7.048 -15.624 6.878 1.00 41.34 C ATOM 808 O GLY A 54 7.953 -14.818 7.097 1.00 71.44 O ATOM 0 H GLY A 54 4.249 -16.074 7.609 1.00 54.40 H new ATOM 0 HA2 GLY A 54 6.873 -16.133 8.949 1.00 5.34 H new ATOM 0 HA3 GLY A 54 6.208 -17.331 7.857 1.00 5.34 H new ATOM 812 N PRO A 55 6.694 -15.962 5.621 1.00 44.14 N ATOM 813 CA PRO A 55 7.446 -15.515 4.438 1.00 24.14 C ATOM 814 C PRO A 55 7.490 -13.997 4.321 1.00 71.11 C ATOM 815 O PRO A 55 8.546 -13.417 4.062 1.00 23.13 O ATOM 816 CB PRO A 55 6.673 -16.124 3.254 1.00 23.43 C ATOM 817 CG PRO A 55 5.320 -16.444 3.797 1.00 40.12 C ATOM 818 CD PRO A 55 5.527 -16.781 5.249 1.00 70.43 C ATOM 0 HA PRO A 55 8.489 -15.830 4.482 1.00 24.14 H new ATOM 0 HB2 PRO A 55 6.608 -15.422 2.423 1.00 23.43 H new ATOM 0 HB3 PRO A 55 7.169 -17.019 2.878 1.00 23.43 H new ATOM 0 HG2 PRO A 55 4.644 -15.596 3.685 1.00 40.12 H new ATOM 0 HG3 PRO A 55 4.872 -17.281 3.262 1.00 40.12 H new ATOM 0 HD2 PRO A 55 4.652 -16.531 5.849 1.00 70.43 H new ATOM 0 HD3 PRO A 55 5.719 -17.844 5.392 1.00 70.43 H new ATOM 826 N CYS A 56 6.346 -13.364 4.575 1.00 14.42 N ATOM 827 CA CYS A 56 6.184 -11.927 4.358 1.00 3.13 C ATOM 828 C CYS A 56 7.171 -11.117 5.202 1.00 14.23 C ATOM 829 O CYS A 56 7.306 -9.908 5.016 1.00 50.22 O ATOM 830 CB CYS A 56 4.749 -11.500 4.674 1.00 31.13 C ATOM 831 SG CYS A 56 4.339 -11.544 6.445 1.00 20.54 S ATOM 0 H CYS A 56 5.512 -13.828 4.934 1.00 14.42 H new ATOM 0 HA CYS A 56 6.395 -11.725 3.308 1.00 3.13 H new ATOM 0 HB2 CYS A 56 4.591 -10.489 4.300 1.00 31.13 H new ATOM 0 HB3 CYS A 56 4.060 -12.151 4.135 1.00 31.13 H new ATOM 836 N ARG A 57 7.849 -11.781 6.140 1.00 51.24 N ATOM 837 CA ARG A 57 8.869 -11.129 6.955 1.00 13.21 C ATOM 838 C ARG A 57 9.918 -10.461 6.060 1.00 73.23 C ATOM 839 O ARG A 57 10.467 -9.415 6.401 1.00 25.41 O ATOM 840 CB ARG A 57 9.542 -12.142 7.886 1.00 34.01 C ATOM 841 CG ARG A 57 10.538 -11.507 8.847 1.00 34.33 C ATOM 842 CD ARG A 57 11.250 -12.542 9.703 1.00 60.22 C ATOM 843 NE ARG A 57 12.171 -11.913 10.650 1.00 21.42 N ATOM 844 CZ ARG A 57 13.217 -12.521 11.209 1.00 75.43 C ATOM 845 NH1 ARG A 57 13.520 -13.774 10.881 1.00 35.24 N ATOM 846 NH2 ARG A 57 13.972 -11.858 12.078 1.00 12.04 N ATOM 0 H ARG A 57 7.709 -12.769 6.352 1.00 51.24 H new ATOM 0 HA ARG A 57 8.386 -10.364 7.563 1.00 13.21 H new ATOM 0 HB2 ARG A 57 8.775 -12.663 8.460 1.00 34.01 H new ATOM 0 HB3 ARG A 57 10.055 -12.892 7.285 1.00 34.01 H new ATOM 0 HG2 ARG A 57 11.275 -10.938 8.280 1.00 34.33 H new ATOM 0 HG3 ARG A 57 10.017 -10.800 9.493 1.00 34.33 H new ATOM 0 HD2 ARG A 57 10.514 -13.133 10.248 1.00 60.22 H new ATOM 0 HD3 ARG A 57 11.800 -13.230 9.061 1.00 60.22 H new ATOM 0 HE ARG A 57 12.000 -10.939 10.900 1.00 21.42 H new ATOM 0 HH11 ARG A 57 12.951 -14.274 10.198 1.00 35.24 H new ATOM 0 HH12 ARG A 57 14.322 -14.234 11.312 1.00 35.24 H new ATOM 0 HH21 ARG A 57 13.749 -10.891 12.313 1.00 12.04 H new ATOM 0 HH22 ARG A 57 14.774 -12.316 12.510 1.00 12.04 H new ATOM 860 N SER A 58 10.194 -11.083 4.916 1.00 63.21 N ATOM 861 CA SER A 58 11.103 -10.516 3.924 1.00 41.03 C ATOM 862 C SER A 58 10.415 -9.369 3.181 1.00 5.10 C ATOM 863 O SER A 58 11.032 -8.342 2.864 1.00 55.11 O ATOM 864 CB SER A 58 11.544 -11.607 2.941 1.00 45.20 C ATOM 865 OG SER A 58 12.310 -11.075 1.872 1.00 35.52 O ATOM 0 H SER A 58 9.798 -11.985 4.653 1.00 63.21 H new ATOM 0 HA SER A 58 11.986 -10.122 4.427 1.00 41.03 H new ATOM 0 HB2 SER A 58 12.131 -12.357 3.470 1.00 45.20 H new ATOM 0 HB3 SER A 58 10.665 -12.113 2.542 1.00 45.20 H new ATOM 0 HG SER A 58 12.176 -11.622 1.070 1.00 35.52 H new ATOM 871 N LEU A 59 9.129 -9.556 2.916 1.00 22.42 N ATOM 872 CA LEU A 59 8.311 -8.561 2.231 1.00 65.41 C ATOM 873 C LEU A 59 8.366 -7.218 2.972 1.00 63.43 C ATOM 874 O LEU A 59 8.243 -6.159 2.352 1.00 23.01 O ATOM 875 CB LEU A 59 6.859 -9.080 2.117 1.00 64.52 C ATOM 876 CG LEU A 59 6.156 -8.878 0.759 1.00 23.13 C ATOM 877 CD1 LEU A 59 5.729 -7.433 0.564 1.00 41.03 C ATOM 878 CD2 LEU A 59 7.052 -9.330 -0.395 1.00 33.14 C ATOM 0 H LEU A 59 8.621 -10.403 3.170 1.00 22.42 H new ATOM 0 HA LEU A 59 8.702 -8.398 1.227 1.00 65.41 H new ATOM 0 HB2 LEU A 59 6.860 -10.146 2.345 1.00 64.52 H new ATOM 0 HB3 LEU A 59 6.261 -8.590 2.886 1.00 64.52 H new ATOM 0 HG LEU A 59 5.259 -9.497 0.762 1.00 23.13 H new ATOM 0 HD11 LEU A 59 5.237 -7.326 -0.403 1.00 41.03 H new ATOM 0 HD12 LEU A 59 5.037 -7.148 1.357 1.00 41.03 H new ATOM 0 HD13 LEU A 59 6.606 -6.787 0.598 1.00 41.03 H new ATOM 0 HD21 LEU A 59 6.532 -9.177 -1.341 1.00 33.14 H new ATOM 0 HD22 LEU A 59 7.974 -8.748 -0.389 1.00 33.14 H new ATOM 0 HD23 LEU A 59 7.289 -10.387 -0.279 1.00 33.14 H new ATOM 890 N GLU A 60 8.584 -7.267 4.295 1.00 30.45 N ATOM 891 CA GLU A 60 8.715 -6.048 5.096 1.00 75.13 C ATOM 892 C GLU A 60 9.889 -5.180 4.586 1.00 51.03 C ATOM 893 O GLU A 60 9.656 -4.101 4.029 1.00 44.02 O ATOM 894 CB GLU A 60 8.881 -6.362 6.598 1.00 21.01 C ATOM 895 CG GLU A 60 7.761 -7.194 7.212 1.00 42.33 C ATOM 896 CD GLU A 60 7.975 -7.434 8.701 1.00 70.14 C ATOM 897 OE1 GLU A 60 7.872 -6.462 9.482 1.00 10.31 O ATOM 898 OE2 GLU A 60 8.261 -8.583 9.100 1.00 23.02 O ATOM 0 H GLU A 60 8.672 -8.133 4.827 1.00 30.45 H new ATOM 0 HA GLU A 60 7.790 -5.483 4.981 1.00 75.13 H new ATOM 0 HB2 GLU A 60 9.824 -6.889 6.741 1.00 21.01 H new ATOM 0 HB3 GLU A 60 8.955 -5.422 7.144 1.00 21.01 H new ATOM 0 HG2 GLU A 60 6.808 -6.687 7.060 1.00 42.33 H new ATOM 0 HG3 GLU A 60 7.697 -8.152 6.696 1.00 42.33 H new ATOM 905 N PRO A 61 11.172 -5.631 4.728 1.00 2.12 N ATOM 906 CA PRO A 61 12.319 -4.840 4.266 1.00 13.42 C ATOM 907 C PRO A 61 12.290 -4.620 2.754 1.00 41.13 C ATOM 908 O PRO A 61 12.818 -3.627 2.261 1.00 1.12 O ATOM 909 CB PRO A 61 13.543 -5.675 4.675 1.00 31.41 C ATOM 910 CG PRO A 61 13.025 -7.060 4.829 1.00 2.42 C ATOM 911 CD PRO A 61 11.616 -6.910 5.330 1.00 40.44 C ATOM 0 HA PRO A 61 12.323 -3.841 4.701 1.00 13.42 H new ATOM 0 HB2 PRO A 61 14.325 -5.627 3.917 1.00 31.41 H new ATOM 0 HB3 PRO A 61 13.978 -5.310 5.605 1.00 31.41 H new ATOM 0 HG2 PRO A 61 13.049 -7.595 3.880 1.00 2.42 H new ATOM 0 HG3 PRO A 61 13.633 -7.630 5.532 1.00 2.42 H new ATOM 0 HD2 PRO A 61 10.987 -7.742 5.015 1.00 40.44 H new ATOM 0 HD3 PRO A 61 11.578 -6.876 6.419 1.00 40.44 H new ATOM 919 N GLN A 62 11.689 -5.554 2.012 1.00 43.22 N ATOM 920 CA GLN A 62 11.536 -5.377 0.571 1.00 31.42 C ATOM 921 C GLN A 62 10.672 -4.160 0.241 1.00 63.34 C ATOM 922 O GLN A 62 11.039 -3.347 -0.613 1.00 40.12 O ATOM 923 CB GLN A 62 10.946 -6.626 -0.070 1.00 41.44 C ATOM 924 CG GLN A 62 11.826 -7.853 0.092 1.00 54.14 C ATOM 925 CD GLN A 62 11.417 -8.985 -0.821 1.00 53.13 C ATOM 926 OE1 GLN A 62 11.910 -9.105 -1.941 1.00 31.32 O ATOM 927 NE2 GLN A 62 10.505 -9.812 -0.351 1.00 61.04 N ATOM 0 H GLN A 62 11.307 -6.425 2.380 1.00 43.22 H new ATOM 0 HA GLN A 62 12.531 -5.207 0.160 1.00 31.42 H new ATOM 0 HB2 GLN A 62 9.969 -6.826 0.371 1.00 41.44 H new ATOM 0 HB3 GLN A 62 10.784 -6.440 -1.132 1.00 41.44 H new ATOM 0 HG2 GLN A 62 12.862 -7.582 -0.112 1.00 54.14 H new ATOM 0 HG3 GLN A 62 11.783 -8.192 1.127 1.00 54.14 H new ATOM 0 HE21 GLN A 62 10.124 -9.673 0.585 1.00 61.04 H new ATOM 0 HE22 GLN A 62 10.180 -10.591 -0.923 1.00 61.04 H new ATOM 936 N LEU A 63 9.527 -4.031 0.910 1.00 64.12 N ATOM 937 CA LEU A 63 8.653 -2.882 0.689 1.00 54.22 C ATOM 938 C LEU A 63 9.317 -1.606 1.174 1.00 12.41 C ATOM 939 O LEU A 63 9.217 -0.566 0.523 1.00 14.33 O ATOM 940 CB LEU A 63 7.289 -3.059 1.372 1.00 33.33 C ATOM 941 CG LEU A 63 6.307 -3.988 0.644 1.00 31.44 C ATOM 942 CD1 LEU A 63 4.959 -4.021 1.358 1.00 21.43 C ATOM 943 CD2 LEU A 63 6.133 -3.557 -0.814 1.00 3.51 C ATOM 0 H LEU A 63 9.187 -4.699 1.601 1.00 64.12 H new ATOM 0 HA LEU A 63 8.480 -2.810 -0.385 1.00 54.22 H new ATOM 0 HB2 LEU A 63 7.452 -3.446 2.378 1.00 33.33 H new ATOM 0 HB3 LEU A 63 6.825 -2.079 1.479 1.00 33.33 H new ATOM 0 HG LEU A 63 6.723 -4.995 0.656 1.00 31.44 H new ATOM 0 HD11 LEU A 63 4.280 -4.686 0.824 1.00 21.43 H new ATOM 0 HD12 LEU A 63 5.096 -4.384 2.377 1.00 21.43 H new ATOM 0 HD13 LEU A 63 4.537 -3.016 1.385 1.00 21.43 H new ATOM 0 HD21 LEU A 63 5.433 -4.229 -1.311 1.00 3.51 H new ATOM 0 HD22 LEU A 63 5.745 -2.539 -0.849 1.00 3.51 H new ATOM 0 HD23 LEU A 63 7.096 -3.596 -1.322 1.00 3.51 H new ATOM 955 N GLU A 64 9.999 -1.689 2.311 1.00 24.24 N ATOM 956 CA GLU A 64 10.724 -0.538 2.839 1.00 41.44 C ATOM 957 C GLU A 64 11.859 -0.143 1.891 1.00 63.04 C ATOM 958 O GLU A 64 12.194 1.036 1.771 1.00 10.33 O ATOM 959 CB GLU A 64 11.253 -0.821 4.253 1.00 42.13 C ATOM 960 CG GLU A 64 10.147 -1.186 5.247 1.00 41.42 C ATOM 961 CD GLU A 64 10.384 -0.621 6.638 1.00 15.24 C ATOM 962 OE1 GLU A 64 9.974 0.526 6.890 1.00 75.20 O ATOM 963 OE2 GLU A 64 10.987 -1.319 7.484 1.00 60.34 O ATOM 0 H GLU A 64 10.065 -2.533 2.881 1.00 24.24 H new ATOM 0 HA GLU A 64 10.032 0.301 2.910 1.00 41.44 H new ATOM 0 HB2 GLU A 64 11.976 -1.636 4.208 1.00 42.13 H new ATOM 0 HB3 GLU A 64 11.785 0.057 4.618 1.00 42.13 H new ATOM 0 HG2 GLU A 64 9.193 -0.819 4.870 1.00 41.42 H new ATOM 0 HG3 GLU A 64 10.068 -2.271 5.311 1.00 41.42 H new ATOM 970 N LYS A 65 12.420 -1.133 1.196 1.00 45.12 N ATOM 971 CA LYS A 65 13.421 -0.877 0.165 1.00 5.40 C ATOM 972 C LYS A 65 12.797 -0.072 -0.962 1.00 25.20 C ATOM 973 O LYS A 65 13.296 0.989 -1.345 1.00 54.41 O ATOM 974 CB LYS A 65 13.975 -2.194 -0.399 1.00 35.43 C ATOM 975 CG LYS A 65 14.776 -2.015 -1.687 1.00 60.42 C ATOM 976 CD LYS A 65 15.245 -3.346 -2.269 1.00 74.34 C ATOM 977 CE LYS A 65 14.077 -4.217 -2.724 1.00 62.32 C ATOM 978 NZ LYS A 65 14.539 -5.470 -3.381 1.00 24.33 N ATOM 0 H LYS A 65 12.197 -2.119 1.330 1.00 45.12 H new ATOM 0 HA LYS A 65 14.241 -0.317 0.614 1.00 5.40 H new ATOM 0 HB2 LYS A 65 14.610 -2.663 0.352 1.00 35.43 H new ATOM 0 HB3 LYS A 65 13.146 -2.877 -0.588 1.00 35.43 H new ATOM 0 HG2 LYS A 65 14.163 -1.495 -2.424 1.00 60.42 H new ATOM 0 HG3 LYS A 65 15.642 -1.383 -1.489 1.00 60.42 H new ATOM 0 HD2 LYS A 65 15.907 -3.158 -3.114 1.00 74.34 H new ATOM 0 HD3 LYS A 65 15.827 -3.883 -1.521 1.00 74.34 H new ATOM 0 HE2 LYS A 65 13.454 -4.466 -1.865 1.00 62.32 H new ATOM 0 HE3 LYS A 65 13.453 -3.653 -3.417 1.00 62.32 H new ATOM 0 HZ1 LYS A 65 13.751 -5.896 -3.909 1.00 24.33 H new ATOM 0 HZ2 LYS A 65 15.317 -5.252 -4.036 1.00 24.33 H new ATOM 0 HZ3 LYS A 65 14.873 -6.138 -2.658 1.00 24.33 H new ATOM 992 N LEU A 66 11.690 -0.589 -1.485 1.00 24.11 N ATOM 993 CA LEU A 66 10.984 0.072 -2.571 1.00 35.02 C ATOM 994 C LEU A 66 10.496 1.444 -2.121 1.00 52.41 C ATOM 995 O LEU A 66 10.424 2.377 -2.914 1.00 71.41 O ATOM 996 CB LEU A 66 9.801 -0.776 -3.066 1.00 43.40 C ATOM 997 CG LEU A 66 10.158 -2.123 -3.706 1.00 13.30 C ATOM 998 CD1 LEU A 66 8.948 -2.686 -4.448 1.00 43.14 C ATOM 999 CD2 LEU A 66 11.365 -1.991 -4.632 1.00 43.13 C ATOM 0 H LEU A 66 11.265 -1.462 -1.173 1.00 24.11 H new ATOM 0 HA LEU A 66 11.680 0.194 -3.401 1.00 35.02 H new ATOM 0 HB2 LEU A 66 9.136 -0.962 -2.223 1.00 43.40 H new ATOM 0 HB3 LEU A 66 9.238 -0.189 -3.792 1.00 43.40 H new ATOM 0 HG LEU A 66 10.433 -2.821 -2.915 1.00 13.30 H new ATOM 0 HD11 LEU A 66 9.211 -3.643 -4.899 1.00 43.14 H new ATOM 0 HD12 LEU A 66 8.126 -2.829 -3.747 1.00 43.14 H new ATOM 0 HD13 LEU A 66 8.643 -1.989 -5.228 1.00 43.14 H new ATOM 0 HD21 LEU A 66 11.595 -2.962 -5.071 1.00 43.13 H new ATOM 0 HD22 LEU A 66 11.139 -1.278 -5.425 1.00 43.13 H new ATOM 0 HD23 LEU A 66 12.224 -1.638 -4.062 1.00 43.13 H new ATOM 1011 N ALA A 67 10.188 1.560 -0.835 1.00 3.01 N ATOM 1012 CA ALA A 67 9.741 2.820 -0.266 1.00 51.35 C ATOM 1013 C ALA A 67 10.864 3.847 -0.321 1.00 33.34 C ATOM 1014 O ALA A 67 10.694 4.927 -0.869 1.00 22.31 O ATOM 1015 CB ALA A 67 9.251 2.620 1.167 1.00 62.12 C ATOM 0 H ALA A 67 10.241 0.792 -0.166 1.00 3.01 H new ATOM 0 HA ALA A 67 8.904 3.194 -0.856 1.00 51.35 H new ATOM 0 HB1 ALA A 67 8.921 3.575 1.575 1.00 62.12 H new ATOM 0 HB2 ALA A 67 8.419 1.916 1.172 1.00 62.12 H new ATOM 0 HB3 ALA A 67 10.063 2.226 1.778 1.00 62.12 H new ATOM 1021 N GLN A 68 12.022 3.482 0.217 1.00 4.53 N ATOM 1022 CA GLN A 68 13.185 4.371 0.237 1.00 5.21 C ATOM 1023 C GLN A 68 13.637 4.723 -1.182 1.00 74.52 C ATOM 1024 O GLN A 68 14.097 5.837 -1.443 1.00 23.20 O ATOM 1025 CB GLN A 68 14.337 3.718 1.014 1.00 42.45 C ATOM 1026 CG GLN A 68 14.034 3.509 2.495 1.00 4.24 C ATOM 1027 CD GLN A 68 15.215 2.955 3.275 1.00 13.14 C ATOM 1028 OE1 GLN A 68 16.049 2.222 2.740 1.00 42.24 O ATOM 1029 NE2 GLN A 68 15.297 3.309 4.550 1.00 30.45 N ATOM 0 H GLN A 68 12.184 2.572 0.648 1.00 4.53 H new ATOM 0 HA GLN A 68 12.896 5.295 0.738 1.00 5.21 H new ATOM 0 HB2 GLN A 68 14.570 2.755 0.560 1.00 42.45 H new ATOM 0 HB3 GLN A 68 15.227 4.340 0.918 1.00 42.45 H new ATOM 0 HG2 GLN A 68 13.730 4.459 2.935 1.00 4.24 H new ATOM 0 HG3 GLN A 68 13.189 2.827 2.594 1.00 4.24 H new ATOM 0 HE21 GLN A 68 14.587 3.918 4.957 1.00 30.45 H new ATOM 0 HE22 GLN A 68 16.070 2.973 5.124 1.00 30.45 H new ATOM 1038 N GLN A 69 13.494 3.769 -2.095 1.00 51.25 N ATOM 1039 CA GLN A 69 13.903 3.964 -3.484 1.00 3.14 C ATOM 1040 C GLN A 69 12.898 4.843 -4.237 1.00 21.32 C ATOM 1041 O GLN A 69 13.286 5.716 -5.021 1.00 40.13 O ATOM 1042 CB GLN A 69 14.049 2.602 -4.186 1.00 30.03 C ATOM 1043 CG GLN A 69 14.457 2.690 -5.655 1.00 12.20 C ATOM 1044 CD GLN A 69 15.808 3.360 -5.858 1.00 32.41 C ATOM 1045 OE1 GLN A 69 16.848 2.701 -5.875 1.00 31.22 O ATOM 1046 NE2 GLN A 69 15.802 4.675 -6.014 1.00 2.54 N ATOM 0 H GLN A 69 13.097 2.850 -1.899 1.00 51.25 H new ATOM 0 HA GLN A 69 14.866 4.474 -3.488 1.00 3.14 H new ATOM 0 HB2 GLN A 69 14.790 2.009 -3.651 1.00 30.03 H new ATOM 0 HB3 GLN A 69 13.102 2.067 -4.116 1.00 30.03 H new ATOM 0 HG2 GLN A 69 14.488 1.686 -6.078 1.00 12.20 H new ATOM 0 HG3 GLN A 69 13.696 3.244 -6.205 1.00 12.20 H new ATOM 0 HE21 GLN A 69 14.920 5.187 -5.994 1.00 2.54 H new ATOM 0 HE22 GLN A 69 16.679 5.176 -6.154 1.00 2.54 H new ATOM 1055 N TYR A 70 11.613 4.615 -3.981 1.00 75.34 N ATOM 1056 CA TYR A 70 10.523 5.257 -4.724 1.00 74.41 C ATOM 1057 C TYR A 70 9.845 6.372 -3.918 1.00 62.54 C ATOM 1058 O TYR A 70 8.849 6.944 -4.362 1.00 71.23 O ATOM 1059 CB TYR A 70 9.493 4.213 -5.177 1.00 45.30 C ATOM 1060 CG TYR A 70 10.042 3.209 -6.181 1.00 53.25 C ATOM 1061 CD1 TYR A 70 10.623 3.636 -7.373 1.00 65.04 C ATOM 1062 CD2 TYR A 70 9.978 1.838 -5.940 1.00 14.44 C ATOM 1063 CE1 TYR A 70 11.124 2.730 -8.289 1.00 1.04 C ATOM 1064 CE2 TYR A 70 10.476 0.929 -6.853 1.00 53.53 C ATOM 1065 CZ TYR A 70 11.047 1.379 -8.025 1.00 22.20 C ATOM 1066 OH TYR A 70 11.546 0.476 -8.938 1.00 63.13 O ATOM 0 H TYR A 70 11.293 3.979 -3.251 1.00 75.34 H new ATOM 0 HA TYR A 70 10.965 5.724 -5.604 1.00 74.41 H new ATOM 0 HB2 TYR A 70 9.125 3.676 -4.303 1.00 45.30 H new ATOM 0 HB3 TYR A 70 8.639 4.726 -5.619 1.00 45.30 H new ATOM 0 HD1 TYR A 70 10.683 4.693 -7.585 1.00 65.04 H new ATOM 0 HD2 TYR A 70 9.532 1.480 -5.024 1.00 14.44 H new ATOM 0 HE1 TYR A 70 11.574 3.079 -9.207 1.00 1.04 H new ATOM 0 HE2 TYR A 70 10.418 -0.130 -6.650 1.00 53.53 H new ATOM 0 HH TYR A 70 12.292 0.883 -9.426 1.00 63.13 H new ATOM 1076 N THR A 71 10.387 6.674 -2.739 1.00 13.34 N ATOM 1077 CA THR A 71 9.764 7.620 -1.801 1.00 50.50 C ATOM 1078 C THR A 71 9.452 8.969 -2.455 1.00 62.30 C ATOM 1079 O THR A 71 8.640 9.741 -1.936 1.00 24.42 O ATOM 1080 CB THR A 71 10.670 7.859 -0.562 1.00 54.01 C ATOM 1081 OG1 THR A 71 10.034 8.760 0.355 1.00 14.32 O ATOM 1082 CG2 THR A 71 12.028 8.420 -0.972 1.00 74.13 C ATOM 0 H THR A 71 11.264 6.275 -2.404 1.00 13.34 H new ATOM 0 HA THR A 71 8.825 7.162 -1.489 1.00 50.50 H new ATOM 0 HB THR A 71 10.826 6.897 -0.074 1.00 54.01 H new ATOM 0 HG1 THR A 71 9.404 9.332 -0.132 1.00 14.32 H new ATOM 0 HG21 THR A 71 12.640 8.577 -0.084 1.00 74.13 H new ATOM 0 HG22 THR A 71 12.527 7.715 -1.637 1.00 74.13 H new ATOM 0 HG23 THR A 71 11.888 9.369 -1.489 1.00 74.13 H new ATOM 1090 N GLU A 72 10.098 9.254 -3.584 1.00 65.14 N ATOM 1091 CA GLU A 72 9.815 10.465 -4.345 1.00 35.12 C ATOM 1092 C GLU A 72 8.336 10.521 -4.729 1.00 25.14 C ATOM 1093 O GLU A 72 7.694 11.567 -4.618 1.00 23.12 O ATOM 1094 CB GLU A 72 10.668 10.515 -5.618 1.00 70.42 C ATOM 1095 CG GLU A 72 12.170 10.480 -5.375 1.00 74.44 C ATOM 1096 CD GLU A 72 12.951 10.555 -6.675 1.00 74.13 C ATOM 1097 OE1 GLU A 72 13.094 9.511 -7.347 1.00 10.42 O ATOM 1098 OE2 GLU A 72 13.403 11.659 -7.043 1.00 11.23 O ATOM 0 H GLU A 72 10.821 8.661 -3.991 1.00 65.14 H new ATOM 0 HA GLU A 72 10.059 11.321 -3.716 1.00 35.12 H new ATOM 0 HB2 GLU A 72 10.396 9.673 -6.255 1.00 70.42 H new ATOM 0 HB3 GLU A 72 10.423 11.423 -6.168 1.00 70.42 H new ATOM 0 HG2 GLU A 72 12.454 11.313 -4.731 1.00 74.44 H new ATOM 0 HG3 GLU A 72 12.432 9.564 -4.845 1.00 74.44 H new ATOM 1105 N ASN A 73 7.805 9.381 -5.173 1.00 21.02 N ATOM 1106 CA ASN A 73 6.426 9.305 -5.662 1.00 62.43 C ATOM 1107 C ASN A 73 5.652 8.164 -4.999 1.00 20.00 C ATOM 1108 O ASN A 73 4.537 7.862 -5.407 1.00 61.21 O ATOM 1109 CB ASN A 73 6.407 9.118 -7.190 1.00 13.31 C ATOM 1110 CG ASN A 73 6.917 10.334 -7.951 1.00 54.11 C ATOM 1111 OD1 ASN A 73 6.761 11.471 -7.508 1.00 64.34 O ATOM 1112 ND2 ASN A 73 7.535 10.101 -9.100 1.00 54.41 N ATOM 0 H ASN A 73 8.310 8.495 -5.204 1.00 21.02 H new ATOM 0 HA ASN A 73 5.939 10.245 -5.402 1.00 62.43 H new ATOM 0 HB2 ASN A 73 7.016 8.253 -7.451 1.00 13.31 H new ATOM 0 HB3 ASN A 73 5.388 8.899 -7.510 1.00 13.31 H new ATOM 0 HD21 ASN A 73 7.900 10.879 -9.649 1.00 54.41 H new ATOM 0 HD22 ASN A 73 7.645 9.144 -9.435 1.00 54.41 H new ATOM 1119 N VAL A 74 6.241 7.525 -3.987 1.00 72.03 N ATOM 1120 CA VAL A 74 5.581 6.418 -3.283 1.00 42.42 C ATOM 1121 C VAL A 74 5.525 6.659 -1.771 1.00 74.10 C ATOM 1122 O VAL A 74 6.490 7.135 -1.167 1.00 20.32 O ATOM 1123 CB VAL A 74 6.290 5.064 -3.573 1.00 72.13 C ATOM 1124 CG1 VAL A 74 5.855 3.972 -2.591 1.00 21.31 C ATOM 1125 CG2 VAL A 74 6.025 4.624 -5.010 1.00 44.41 C ATOM 0 H VAL A 74 7.171 7.752 -3.635 1.00 72.03 H new ATOM 0 HA VAL A 74 4.560 6.370 -3.661 1.00 42.42 H new ATOM 0 HB VAL A 74 7.361 5.217 -3.439 1.00 72.13 H new ATOM 0 HG11 VAL A 74 6.373 3.043 -2.828 1.00 21.31 H new ATOM 0 HG12 VAL A 74 6.103 4.277 -1.574 1.00 21.31 H new ATOM 0 HG13 VAL A 74 4.779 3.818 -2.671 1.00 21.31 H new ATOM 0 HG21 VAL A 74 6.527 3.675 -5.198 1.00 44.41 H new ATOM 0 HG22 VAL A 74 4.952 4.503 -5.162 1.00 44.41 H new ATOM 0 HG23 VAL A 74 6.406 5.379 -5.698 1.00 44.41 H new ATOM 1135 N LYS A 75 4.379 6.330 -1.175 1.00 11.42 N ATOM 1136 CA LYS A 75 4.205 6.392 0.277 1.00 72.42 C ATOM 1137 C LYS A 75 3.360 5.205 0.733 1.00 35.14 C ATOM 1138 O LYS A 75 2.225 5.042 0.293 1.00 34.31 O ATOM 1139 CB LYS A 75 3.536 7.717 0.686 1.00 41.24 C ATOM 1140 CG LYS A 75 3.605 8.031 2.184 1.00 43.33 C ATOM 1141 CD LYS A 75 5.041 8.010 2.713 1.00 41.03 C ATOM 1142 CE LYS A 75 5.173 8.705 4.069 1.00 1.24 C ATOM 1143 NZ LYS A 75 4.257 8.143 5.103 1.00 21.33 N ATOM 0 H LYS A 75 3.551 6.015 -1.680 1.00 11.42 H new ATOM 0 HA LYS A 75 5.182 6.346 0.758 1.00 72.42 H new ATOM 0 HB2 LYS A 75 4.007 8.531 0.135 1.00 41.24 H new ATOM 0 HB3 LYS A 75 2.490 7.690 0.382 1.00 41.24 H new ATOM 0 HG2 LYS A 75 3.166 9.011 2.369 1.00 43.33 H new ATOM 0 HG3 LYS A 75 3.006 7.305 2.734 1.00 43.33 H new ATOM 0 HD2 LYS A 75 5.377 6.977 2.803 1.00 41.03 H new ATOM 0 HD3 LYS A 75 5.698 8.497 1.993 1.00 41.03 H new ATOM 0 HE2 LYS A 75 6.202 8.618 4.417 1.00 1.24 H new ATOM 0 HE3 LYS A 75 4.966 9.768 3.948 1.00 1.24 H new ATOM 0 HZ1 LYS A 75 4.427 8.618 6.012 1.00 21.33 H new ATOM 0 HZ2 LYS A 75 3.270 8.295 4.812 1.00 21.33 H new ATOM 0 HZ3 LYS A 75 4.434 7.124 5.207 1.00 21.33 H new ATOM 1157 N ILE A 76 3.919 4.367 1.599 1.00 2.25 N ATOM 1158 CA ILE A 76 3.222 3.167 2.061 1.00 11.04 C ATOM 1159 C ILE A 76 2.539 3.418 3.407 1.00 44.10 C ATOM 1160 O ILE A 76 3.083 4.114 4.272 1.00 5.13 O ATOM 1161 CB ILE A 76 4.187 1.958 2.180 1.00 34.22 C ATOM 1162 CG1 ILE A 76 4.888 1.701 0.832 1.00 33.03 C ATOM 1163 CG2 ILE A 76 3.437 0.707 2.645 1.00 74.13 C ATOM 1164 CD1 ILE A 76 5.859 0.537 0.852 1.00 51.21 C ATOM 0 H ILE A 76 4.850 4.494 1.996 1.00 2.25 H new ATOM 0 HA ILE A 76 2.463 2.928 1.316 1.00 11.04 H new ATOM 0 HB ILE A 76 4.945 2.194 2.927 1.00 34.22 H new ATOM 0 HG12 ILE A 76 4.131 1.516 0.070 1.00 33.03 H new ATOM 0 HG13 ILE A 76 5.424 2.603 0.536 1.00 33.03 H new ATOM 0 HG21 ILE A 76 4.134 -0.128 2.721 1.00 74.13 H new ATOM 0 HG22 ILE A 76 2.987 0.894 3.620 1.00 74.13 H new ATOM 0 HG23 ILE A 76 2.656 0.463 1.925 1.00 74.13 H new ATOM 0 HD11 ILE A 76 6.310 0.422 -0.134 1.00 51.21 H new ATOM 0 HD12 ILE A 76 6.640 0.727 1.588 1.00 51.21 H new ATOM 0 HD13 ILE A 76 5.326 -0.377 1.116 1.00 51.21 H new ATOM 1176 N TYR A 77 1.344 2.857 3.556 1.00 12.55 N ATOM 1177 CA TYR A 77 0.555 2.949 4.781 1.00 2.05 C ATOM 1178 C TYR A 77 0.168 1.547 5.254 1.00 71.34 C ATOM 1179 O TYR A 77 0.218 0.588 4.485 1.00 61.31 O ATOM 1180 CB TYR A 77 -0.729 3.769 4.545 1.00 54.55 C ATOM 1181 CG TYR A 77 -0.517 5.262 4.347 1.00 63.10 C ATOM 1182 CD1 TYR A 77 0.065 5.761 3.191 1.00 43.13 C ATOM 1183 CD2 TYR A 77 -0.929 6.173 5.314 1.00 14.43 C ATOM 1184 CE1 TYR A 77 0.234 7.118 3.005 1.00 40.10 C ATOM 1185 CE2 TYR A 77 -0.762 7.532 5.136 1.00 35.22 C ATOM 1186 CZ TYR A 77 -0.180 7.999 3.980 1.00 35.05 C ATOM 1187 OH TYR A 77 -0.007 9.353 3.799 1.00 44.21 O ATOM 0 H TYR A 77 0.889 2.318 2.819 1.00 12.55 H new ATOM 0 HA TYR A 77 1.160 3.446 5.539 1.00 2.05 H new ATOM 0 HB2 TYR A 77 -1.239 3.371 3.668 1.00 54.55 H new ATOM 0 HB3 TYR A 77 -1.396 3.623 5.395 1.00 54.55 H new ATOM 0 HD1 TYR A 77 0.392 5.076 2.423 1.00 43.13 H new ATOM 0 HD2 TYR A 77 -1.388 5.810 6.222 1.00 14.43 H new ATOM 0 HE1 TYR A 77 0.689 7.488 2.098 1.00 40.10 H new ATOM 0 HE2 TYR A 77 -1.086 8.224 5.899 1.00 35.22 H new ATOM 0 HH TYR A 77 -0.354 9.834 4.579 1.00 44.21 H new ATOM 1197 N LYS A 78 -0.227 1.447 6.516 1.00 65.31 N ATOM 1198 CA LYS A 78 -0.717 0.199 7.093 1.00 33.40 C ATOM 1199 C LYS A 78 -1.966 0.476 7.921 1.00 32.23 C ATOM 1200 O LYS A 78 -1.948 1.326 8.812 1.00 72.45 O ATOM 1201 CB LYS A 78 0.363 -0.454 7.969 1.00 51.35 C ATOM 1202 CG LYS A 78 -0.128 -1.679 8.742 1.00 63.42 C ATOM 1203 CD LYS A 78 0.963 -2.290 9.624 1.00 23.40 C ATOM 1204 CE LYS A 78 1.981 -3.094 8.821 1.00 41.43 C ATOM 1205 NZ LYS A 78 2.760 -2.260 7.863 1.00 75.14 N ATOM 0 H LYS A 78 -0.217 2.229 7.171 1.00 65.31 H new ATOM 0 HA LYS A 78 -0.964 -0.489 6.285 1.00 33.40 H new ATOM 0 HB2 LYS A 78 1.202 -0.746 7.338 1.00 51.35 H new ATOM 0 HB3 LYS A 78 0.739 0.284 8.677 1.00 51.35 H new ATOM 0 HG2 LYS A 78 -0.977 -1.396 9.364 1.00 63.42 H new ATOM 0 HG3 LYS A 78 -0.485 -2.430 8.038 1.00 63.42 H new ATOM 0 HD2 LYS A 78 1.477 -1.495 10.164 1.00 23.40 H new ATOM 0 HD3 LYS A 78 0.502 -2.936 10.371 1.00 23.40 H new ATOM 0 HE2 LYS A 78 2.669 -3.586 9.508 1.00 41.43 H new ATOM 0 HE3 LYS A 78 1.463 -3.880 8.271 1.00 41.43 H new ATOM 0 HZ1 LYS A 78 3.693 -2.691 7.707 1.00 75.14 H new ATOM 0 HZ2 LYS A 78 2.250 -2.202 6.959 1.00 75.14 H new ATOM 0 HZ3 LYS A 78 2.882 -1.304 8.254 1.00 75.14 H new ATOM 1219 N ILE A 79 -3.047 -0.234 7.620 1.00 53.42 N ATOM 1220 CA ILE A 79 -4.312 -0.043 8.319 1.00 20.32 C ATOM 1221 C ILE A 79 -4.422 -0.983 9.522 1.00 73.14 C ATOM 1222 O ILE A 79 -4.394 -2.207 9.375 1.00 44.11 O ATOM 1223 CB ILE A 79 -5.525 -0.256 7.371 1.00 55.42 C ATOM 1224 CG1 ILE A 79 -5.434 -1.617 6.651 1.00 54.12 C ATOM 1225 CG2 ILE A 79 -5.620 0.888 6.359 1.00 13.41 C ATOM 1226 CD1 ILE A 79 -6.602 -1.905 5.725 1.00 3.40 C ATOM 0 H ILE A 79 -3.072 -0.950 6.894 1.00 53.42 H new ATOM 0 HA ILE A 79 -4.330 0.988 8.674 1.00 20.32 H new ATOM 0 HB ILE A 79 -6.432 -0.259 7.976 1.00 55.42 H new ATOM 0 HG12 ILE A 79 -4.510 -1.650 6.074 1.00 54.12 H new ATOM 0 HG13 ILE A 79 -5.372 -2.408 7.398 1.00 54.12 H new ATOM 0 HG21 ILE A 79 -6.475 0.723 5.703 1.00 13.41 H new ATOM 0 HG22 ILE A 79 -5.746 1.833 6.888 1.00 13.41 H new ATOM 0 HG23 ILE A 79 -4.707 0.924 5.764 1.00 13.41 H new ATOM 0 HD11 ILE A 79 -6.464 -2.880 5.257 1.00 3.40 H new ATOM 0 HD12 ILE A 79 -7.529 -1.906 6.298 1.00 3.40 H new ATOM 0 HD13 ILE A 79 -6.653 -1.136 4.954 1.00 3.40 H new ATOM 1238 N ASN A 80 -4.518 -0.409 10.720 1.00 50.33 N ATOM 1239 CA ASN A 80 -4.708 -1.207 11.932 1.00 2.34 C ATOM 1240 C ASN A 80 -6.169 -1.635 12.070 1.00 41.22 C ATOM 1241 O ASN A 80 -7.006 -0.904 12.604 1.00 41.43 O ATOM 1242 CB ASN A 80 -4.209 -0.471 13.199 1.00 3.41 C ATOM 1243 CG ASN A 80 -4.569 1.012 13.276 1.00 5.11 C ATOM 1244 OD1 ASN A 80 -3.816 1.804 13.844 1.00 43.21 O ATOM 1245 ND2 ASN A 80 -5.708 1.407 12.732 1.00 41.54 N ATOM 0 H ASN A 80 -4.468 0.597 10.878 1.00 50.33 H new ATOM 0 HA ASN A 80 -4.098 -2.105 11.834 1.00 2.34 H new ATOM 0 HB2 ASN A 80 -4.618 -0.973 14.076 1.00 3.41 H new ATOM 0 HB3 ASN A 80 -3.125 -0.568 13.252 1.00 3.41 H new ATOM 0 HD21 ASN A 80 -5.981 2.389 12.777 1.00 41.54 H new ATOM 0 HD22 ASN A 80 -6.313 0.730 12.267 1.00 41.54 H new ATOM 1252 N ILE A 81 -6.464 -2.827 11.559 1.00 41.44 N ATOM 1253 CA ILE A 81 -7.825 -3.367 11.555 1.00 40.21 C ATOM 1254 C ILE A 81 -8.435 -3.394 12.960 1.00 25.35 C ATOM 1255 O ILE A 81 -9.654 -3.365 13.111 1.00 74.32 O ATOM 1256 CB ILE A 81 -7.859 -4.799 10.962 1.00 61.42 C ATOM 1257 CG1 ILE A 81 -6.987 -5.754 11.800 1.00 2.13 C ATOM 1258 CG2 ILE A 81 -7.401 -4.780 9.504 1.00 63.15 C ATOM 1259 CD1 ILE A 81 -7.051 -7.201 11.353 1.00 44.32 C ATOM 0 H ILE A 81 -5.771 -3.446 11.137 1.00 41.44 H new ATOM 0 HA ILE A 81 -8.418 -2.700 10.929 1.00 40.21 H new ATOM 0 HB ILE A 81 -8.885 -5.165 10.994 1.00 61.42 H new ATOM 0 HG12 ILE A 81 -5.951 -5.417 11.756 1.00 2.13 H new ATOM 0 HG13 ILE A 81 -7.298 -5.693 12.843 1.00 2.13 H new ATOM 0 HG21 ILE A 81 -7.430 -5.792 9.100 1.00 63.15 H new ATOM 0 HG22 ILE A 81 -8.063 -4.139 8.923 1.00 63.15 H new ATOM 0 HG23 ILE A 81 -6.383 -4.396 9.448 1.00 63.15 H new ATOM 0 HD11 ILE A 81 -6.410 -7.808 11.993 1.00 44.32 H new ATOM 0 HD12 ILE A 81 -8.078 -7.559 11.424 1.00 44.32 H new ATOM 0 HD13 ILE A 81 -6.710 -7.278 10.320 1.00 44.32 H new ATOM 1271 N GLU A 82 -7.575 -3.424 13.979 1.00 3.42 N ATOM 1272 CA GLU A 82 -8.005 -3.520 15.375 1.00 75.44 C ATOM 1273 C GLU A 82 -9.119 -2.509 15.696 1.00 23.10 C ATOM 1274 O GLU A 82 -10.081 -2.836 16.399 1.00 75.44 O ATOM 1275 CB GLU A 82 -6.800 -3.291 16.303 1.00 1.32 C ATOM 1276 CG GLU A 82 -7.119 -3.365 17.798 1.00 12.51 C ATOM 1277 CD GLU A 82 -7.488 -4.768 18.269 1.00 33.51 C ATOM 1278 OE1 GLU A 82 -6.573 -5.606 18.422 1.00 3.40 O ATOM 1279 OE2 GLU A 82 -8.686 -5.035 18.513 1.00 52.53 O ATOM 0 H GLU A 82 -6.563 -3.383 13.861 1.00 3.42 H new ATOM 0 HA GLU A 82 -8.410 -4.519 15.537 1.00 75.44 H new ATOM 0 HB2 GLU A 82 -6.035 -4.032 16.072 1.00 1.32 H new ATOM 0 HB3 GLU A 82 -6.372 -2.313 16.085 1.00 1.32 H new ATOM 0 HG2 GLU A 82 -6.256 -3.015 18.364 1.00 12.51 H new ATOM 0 HG3 GLU A 82 -7.943 -2.687 18.020 1.00 12.51 H new ATOM 1286 N ASP A 83 -8.989 -1.291 15.175 1.00 3.44 N ATOM 1287 CA ASP A 83 -9.986 -0.241 15.411 1.00 42.32 C ATOM 1288 C ASP A 83 -11.273 -0.527 14.638 1.00 3.21 C ATOM 1289 O ASP A 83 -12.376 -0.223 15.106 1.00 14.55 O ATOM 1290 CB ASP A 83 -9.441 1.137 15.000 1.00 3.41 C ATOM 1291 CG ASP A 83 -8.330 1.630 15.913 1.00 15.12 C ATOM 1292 OD1 ASP A 83 -8.637 2.112 17.022 1.00 31.11 O ATOM 1293 OD2 ASP A 83 -7.146 1.561 15.515 1.00 72.24 O ATOM 0 H ASP A 83 -8.206 -1.004 14.588 1.00 3.44 H new ATOM 0 HA ASP A 83 -10.205 -0.233 16.479 1.00 42.32 H new ATOM 0 HB2 ASP A 83 -9.067 1.084 13.977 1.00 3.41 H new ATOM 0 HB3 ASP A 83 -10.256 1.861 15.005 1.00 3.41 H new ATOM 1298 N ASN A 84 -11.119 -1.127 13.464 1.00 5.40 N ATOM 1299 CA ASN A 84 -12.231 -1.395 12.557 1.00 4.51 C ATOM 1300 C ASN A 84 -11.679 -2.037 11.292 1.00 2.32 C ATOM 1301 O ASN A 84 -10.584 -1.689 10.848 1.00 62.30 O ATOM 1302 CB ASN A 84 -12.991 -0.109 12.206 1.00 30.34 C ATOM 1303 CG ASN A 84 -14.372 -0.393 11.644 1.00 40.12 C ATOM 1304 OD1 ASN A 84 -14.475 -0.514 10.333 1.00 52.14 O flip ATOM 1305 ND2 ASN A 84 -15.344 -0.500 12.392 1.00 44.42 N flip ATOM 0 H ASN A 84 -10.216 -1.443 13.112 1.00 5.40 H new ATOM 0 HA ASN A 84 -12.935 -2.067 13.048 1.00 4.51 H new ATOM 0 HB2 ASN A 84 -13.084 0.511 13.098 1.00 30.34 H new ATOM 0 HB3 ASN A 84 -12.416 0.464 11.479 1.00 30.34 H new ATOM 0 HD21 ASN A 84 -15.225 -0.400 13.400 1.00 44.42 H new ATOM 0 HD22 ASN A 84 -16.268 -0.688 12.004 1.00 44.42 H new ATOM 1312 N GLN A 85 -12.426 -2.965 10.714 1.00 3.24 N ATOM 1313 CA GLN A 85 -11.894 -3.810 9.647 1.00 31.54 C ATOM 1314 C GLN A 85 -12.750 -3.734 8.382 1.00 74.23 C ATOM 1315 O GLN A 85 -12.418 -4.341 7.360 1.00 54.33 O ATOM 1316 CB GLN A 85 -11.814 -5.244 10.181 1.00 63.31 C ATOM 1317 CG GLN A 85 -11.003 -6.210 9.332 1.00 41.00 C ATOM 1318 CD GLN A 85 -10.575 -7.443 10.112 1.00 34.31 C ATOM 1319 OE1 GLN A 85 -10.332 -7.273 11.411 1.00 72.34 O flip ATOM 1320 NE2 GLN A 85 -10.451 -8.531 9.552 1.00 43.45 N flip ATOM 0 H GLN A 85 -13.397 -3.154 10.961 1.00 3.24 H new ATOM 0 HA GLN A 85 -10.902 -3.460 9.361 1.00 31.54 H new ATOM 0 HB2 GLN A 85 -11.384 -5.218 11.182 1.00 63.31 H new ATOM 0 HB3 GLN A 85 -12.827 -5.635 10.279 1.00 63.31 H new ATOM 0 HG2 GLN A 85 -11.594 -6.516 8.469 1.00 41.00 H new ATOM 0 HG3 GLN A 85 -10.119 -5.700 8.949 1.00 41.00 H new ATOM 0 HE21 GLN A 85 -10.648 -8.617 8.555 1.00 43.45 H new ATOM 0 HE22 GLN A 85 -10.152 -9.348 10.085 1.00 43.45 H new ATOM 1329 N ASP A 86 -13.826 -2.951 8.447 1.00 73.31 N ATOM 1330 CA ASP A 86 -14.795 -2.862 7.349 1.00 35.13 C ATOM 1331 C ASP A 86 -14.109 -2.631 6.003 1.00 13.22 C ATOM 1332 O ASP A 86 -14.390 -3.344 5.040 1.00 34.24 O ATOM 1333 CB ASP A 86 -15.833 -1.760 7.619 1.00 14.33 C ATOM 1334 CG ASP A 86 -16.859 -2.170 8.668 1.00 72.42 C ATOM 1335 OD1 ASP A 86 -16.471 -2.380 9.837 1.00 54.04 O ATOM 1336 OD2 ASP A 86 -18.049 -2.300 8.328 1.00 22.01 O ATOM 0 H ASP A 86 -14.052 -2.366 9.251 1.00 73.31 H new ATOM 0 HA ASP A 86 -15.311 -3.821 7.298 1.00 35.13 H new ATOM 0 HB2 ASP A 86 -15.321 -0.856 7.950 1.00 14.33 H new ATOM 0 HB3 ASP A 86 -16.347 -1.513 6.690 1.00 14.33 H new ATOM 1341 N VAL A 87 -13.195 -1.661 5.942 1.00 41.13 N ATOM 1342 CA VAL A 87 -12.473 -1.360 4.698 1.00 0.14 C ATOM 1343 C VAL A 87 -11.806 -2.620 4.133 1.00 52.22 C ATOM 1344 O VAL A 87 -11.810 -2.851 2.915 1.00 13.44 O ATOM 1345 CB VAL A 87 -11.402 -0.256 4.909 1.00 54.01 C ATOM 1346 CG1 VAL A 87 -10.516 -0.097 3.672 1.00 45.24 C ATOM 1347 CG2 VAL A 87 -12.062 1.077 5.262 1.00 11.02 C ATOM 0 H VAL A 87 -12.936 -1.072 6.733 1.00 41.13 H new ATOM 0 HA VAL A 87 -13.210 -0.993 3.984 1.00 0.14 H new ATOM 0 HB VAL A 87 -10.769 -0.565 5.741 1.00 54.01 H new ATOM 0 HG11 VAL A 87 -9.777 0.683 3.852 1.00 45.24 H new ATOM 0 HG12 VAL A 87 -10.007 -1.038 3.466 1.00 45.24 H new ATOM 0 HG13 VAL A 87 -11.132 0.177 2.816 1.00 45.24 H new ATOM 0 HG21 VAL A 87 -11.294 1.837 5.406 1.00 11.02 H new ATOM 0 HG22 VAL A 87 -12.725 1.380 4.452 1.00 11.02 H new ATOM 0 HG23 VAL A 87 -12.638 0.966 6.180 1.00 11.02 H new ATOM 1357 N ALA A 88 -11.275 -3.455 5.026 1.00 14.12 N ATOM 1358 CA ALA A 88 -10.552 -4.653 4.619 1.00 32.31 C ATOM 1359 C ALA A 88 -11.503 -5.633 3.942 1.00 41.11 C ATOM 1360 O ALA A 88 -11.182 -6.221 2.905 1.00 44.41 O ATOM 1361 CB ALA A 88 -9.873 -5.301 5.821 1.00 55.41 C ATOM 0 H ALA A 88 -11.334 -3.321 6.035 1.00 14.12 H new ATOM 0 HA ALA A 88 -9.778 -4.371 3.905 1.00 32.31 H new ATOM 0 HB1 ALA A 88 -9.338 -6.194 5.499 1.00 55.41 H new ATOM 0 HB2 ALA A 88 -9.169 -4.597 6.265 1.00 55.41 H new ATOM 0 HB3 ALA A 88 -10.626 -5.576 6.560 1.00 55.41 H new ATOM 1367 N THR A 89 -12.682 -5.786 4.527 1.00 11.43 N ATOM 1368 CA THR A 89 -13.707 -6.663 3.980 1.00 75.42 C ATOM 1369 C THR A 89 -14.257 -6.097 2.670 1.00 33.54 C ATOM 1370 O THR A 89 -14.547 -6.844 1.733 1.00 51.43 O ATOM 1371 CB THR A 89 -14.857 -6.854 4.993 1.00 40.30 C ATOM 1372 OG1 THR A 89 -14.319 -7.234 6.268 1.00 61.52 O ATOM 1373 CG2 THR A 89 -15.841 -7.920 4.523 1.00 72.13 C ATOM 0 H THR A 89 -12.954 -5.310 5.387 1.00 11.43 H new ATOM 0 HA THR A 89 -13.250 -7.632 3.780 1.00 75.42 H new ATOM 0 HB THR A 89 -15.391 -5.908 5.078 1.00 40.30 H new ATOM 0 HG1 THR A 89 -15.050 -7.353 6.909 1.00 61.52 H new ATOM 0 HG21 THR A 89 -16.638 -8.029 5.259 1.00 72.13 H new ATOM 0 HG22 THR A 89 -16.269 -7.623 3.566 1.00 72.13 H new ATOM 0 HG23 THR A 89 -15.320 -8.871 4.408 1.00 72.13 H new ATOM 1381 N GLN A 90 -14.379 -4.769 2.605 1.00 2.44 N ATOM 1382 CA GLN A 90 -14.896 -4.098 1.412 1.00 42.14 C ATOM 1383 C GLN A 90 -14.004 -4.385 0.204 1.00 60.30 C ATOM 1384 O GLN A 90 -14.462 -4.923 -0.804 1.00 1.24 O ATOM 1385 CB GLN A 90 -14.991 -2.579 1.633 1.00 30.12 C ATOM 1386 CG GLN A 90 -15.959 -2.159 2.737 1.00 13.41 C ATOM 1387 CD GLN A 90 -15.997 -0.652 2.942 1.00 74.40 C ATOM 1388 OE1 GLN A 90 -15.018 0.048 2.685 1.00 10.10 O ATOM 1389 NE2 GLN A 90 -17.123 -0.144 3.419 1.00 24.31 N ATOM 0 H GLN A 90 -14.126 -4.138 3.365 1.00 2.44 H new ATOM 0 HA GLN A 90 -15.895 -4.488 1.219 1.00 42.14 H new ATOM 0 HB2 GLN A 90 -13.999 -2.197 1.872 1.00 30.12 H new ATOM 0 HB3 GLN A 90 -15.298 -2.107 0.699 1.00 30.12 H new ATOM 0 HG2 GLN A 90 -16.960 -2.514 2.491 1.00 13.41 H new ATOM 0 HG3 GLN A 90 -15.670 -2.641 3.671 1.00 13.41 H new ATOM 0 HE21 GLN A 90 -17.914 -0.756 3.620 1.00 24.31 H new ATOM 0 HE22 GLN A 90 -17.200 0.859 3.585 1.00 24.31 H new ATOM 1398 N TYR A 91 -12.726 -4.039 0.319 1.00 50.14 N ATOM 1399 CA TYR A 91 -11.789 -4.222 -0.789 1.00 41.50 C ATOM 1400 C TYR A 91 -11.405 -5.692 -0.954 1.00 22.31 C ATOM 1401 O TYR A 91 -11.030 -6.124 -2.047 1.00 52.52 O ATOM 1402 CB TYR A 91 -10.551 -3.336 -0.600 1.00 44.32 C ATOM 1403 CG TYR A 91 -10.848 -1.863 -0.827 1.00 22.22 C ATOM 1404 CD1 TYR A 91 -11.364 -1.066 0.190 1.00 63.00 C ATOM 1405 CD2 TYR A 91 -10.632 -1.276 -2.070 1.00 14.45 C ATOM 1406 CE1 TYR A 91 -11.658 0.269 -0.027 1.00 21.15 C ATOM 1407 CE2 TYR A 91 -10.917 0.057 -2.291 1.00 20.51 C ATOM 1408 CZ TYR A 91 -11.432 0.825 -1.270 1.00 24.42 C ATOM 1409 OH TYR A 91 -11.724 2.152 -1.498 1.00 60.13 O ATOM 0 H TYR A 91 -12.316 -3.633 1.160 1.00 50.14 H new ATOM 0 HA TYR A 91 -12.286 -3.914 -1.709 1.00 41.50 H new ATOM 0 HB2 TYR A 91 -10.161 -3.473 0.408 1.00 44.32 H new ATOM 0 HB3 TYR A 91 -9.770 -3.656 -1.290 1.00 44.32 H new ATOM 0 HD1 TYR A 91 -11.538 -1.496 1.165 1.00 63.00 H new ATOM 0 HD2 TYR A 91 -10.234 -1.874 -2.877 1.00 14.45 H new ATOM 0 HE1 TYR A 91 -12.062 0.873 0.772 1.00 21.15 H new ATOM 0 HE2 TYR A 91 -10.737 0.496 -3.261 1.00 20.51 H new ATOM 0 HH TYR A 91 -12.083 2.553 -0.679 1.00 60.13 H new ATOM 1419 N GLY A 92 -11.516 -6.457 0.124 1.00 31.35 N ATOM 1420 CA GLY A 92 -11.313 -7.890 0.045 1.00 11.10 C ATOM 1421 C GLY A 92 -9.912 -8.314 0.437 1.00 53.31 C ATOM 1422 O GLY A 92 -9.097 -8.672 -0.417 1.00 33.53 O ATOM 0 H GLY A 92 -11.744 -6.109 1.055 1.00 31.35 H new ATOM 0 HA2 GLY A 92 -12.032 -8.389 0.694 1.00 11.10 H new ATOM 0 HA3 GLY A 92 -11.516 -8.224 -0.972 1.00 11.10 H new ATOM 1426 N VAL A 93 -9.624 -8.256 1.730 1.00 71.22 N ATOM 1427 CA VAL A 93 -8.377 -8.785 2.264 1.00 20.24 C ATOM 1428 C VAL A 93 -8.582 -10.253 2.637 1.00 51.32 C ATOM 1429 O VAL A 93 -9.031 -10.573 3.741 1.00 70.54 O ATOM 1430 CB VAL A 93 -7.892 -7.976 3.496 1.00 0.34 C ATOM 1431 CG1 VAL A 93 -6.606 -8.568 4.072 1.00 52.33 C ATOM 1432 CG2 VAL A 93 -7.694 -6.503 3.126 1.00 70.20 C ATOM 0 H VAL A 93 -10.241 -7.846 2.431 1.00 71.22 H new ATOM 0 HA VAL A 93 -7.605 -8.699 1.499 1.00 20.24 H new ATOM 0 HB VAL A 93 -8.661 -8.038 4.266 1.00 0.34 H new ATOM 0 HG11 VAL A 93 -6.289 -7.981 4.934 1.00 52.33 H new ATOM 0 HG12 VAL A 93 -6.786 -9.598 4.381 1.00 52.33 H new ATOM 0 HG13 VAL A 93 -5.824 -8.548 3.313 1.00 52.33 H new ATOM 0 HG21 VAL A 93 -7.354 -5.950 4.002 1.00 70.20 H new ATOM 0 HG22 VAL A 93 -6.949 -6.424 2.335 1.00 70.20 H new ATOM 0 HG23 VAL A 93 -8.639 -6.085 2.778 1.00 70.20 H new ATOM 1442 N SER A 94 -8.296 -11.134 1.684 1.00 3.15 N ATOM 1443 CA SER A 94 -8.557 -12.561 1.834 1.00 34.44 C ATOM 1444 C SER A 94 -7.549 -13.227 2.774 1.00 52.21 C ATOM 1445 O SER A 94 -7.930 -13.982 3.672 1.00 20.33 O ATOM 1446 CB SER A 94 -8.519 -13.222 0.452 1.00 53.21 C ATOM 1447 OG SER A 94 -7.341 -12.856 -0.254 1.00 12.05 O ATOM 0 H SER A 94 -7.878 -10.880 0.789 1.00 3.15 H new ATOM 0 HA SER A 94 -9.543 -12.689 2.281 1.00 34.44 H new ATOM 0 HB2 SER A 94 -8.560 -14.306 0.562 1.00 53.21 H new ATOM 0 HB3 SER A 94 -9.398 -12.926 -0.121 1.00 53.21 H new ATOM 0 HG SER A 94 -7.257 -13.409 -1.059 1.00 12.05 H new ATOM 1453 N ALA A 95 -6.269 -12.949 2.555 1.00 42.21 N ATOM 1454 CA ALA A 95 -5.198 -13.539 3.354 1.00 62.33 C ATOM 1455 C ALA A 95 -4.665 -12.528 4.362 1.00 42.31 C ATOM 1456 O ALA A 95 -4.923 -11.331 4.232 1.00 42.31 O ATOM 1457 CB ALA A 95 -4.076 -14.028 2.443 1.00 61.10 C ATOM 0 H ALA A 95 -5.945 -12.314 1.826 1.00 42.21 H new ATOM 0 HA ALA A 95 -5.599 -14.390 3.904 1.00 62.33 H new ATOM 0 HB1 ALA A 95 -3.282 -14.466 3.047 1.00 61.10 H new ATOM 0 HB2 ALA A 95 -4.466 -14.779 1.756 1.00 61.10 H new ATOM 0 HB3 ALA A 95 -3.677 -13.188 1.874 1.00 61.10 H new ATOM 1463 N ILE A 96 -3.920 -13.010 5.357 1.00 70.44 N ATOM 1464 CA ILE A 96 -3.338 -12.132 6.369 1.00 11.44 C ATOM 1465 C ILE A 96 -2.358 -11.140 5.725 1.00 20.33 C ATOM 1466 O ILE A 96 -2.527 -9.932 5.871 1.00 13.14 O ATOM 1467 CB ILE A 96 -2.635 -12.928 7.508 1.00 50.32 C ATOM 1468 CG1 ILE A 96 -3.635 -13.866 8.210 1.00 72.42 C ATOM 1469 CG2 ILE A 96 -1.981 -11.979 8.517 1.00 42.35 C ATOM 1470 CD1 ILE A 96 -4.802 -13.153 8.869 1.00 15.30 C ATOM 0 H ILE A 96 -3.707 -13.999 5.483 1.00 70.44 H new ATOM 0 HA ILE A 96 -4.160 -11.577 6.822 1.00 11.44 H new ATOM 0 HB ILE A 96 -1.849 -13.537 7.061 1.00 50.32 H new ATOM 0 HG12 ILE A 96 -4.023 -14.576 7.480 1.00 72.42 H new ATOM 0 HG13 ILE A 96 -3.104 -14.444 8.966 1.00 72.42 H new ATOM 0 HG21 ILE A 96 -1.497 -12.560 9.302 1.00 42.35 H new ATOM 0 HG22 ILE A 96 -1.237 -11.365 8.009 1.00 42.35 H new ATOM 0 HG23 ILE A 96 -2.743 -11.336 8.958 1.00 42.35 H new ATOM 0 HD11 ILE A 96 -5.457 -13.886 9.340 1.00 15.30 H new ATOM 0 HD12 ILE A 96 -4.427 -12.463 9.625 1.00 15.30 H new ATOM 0 HD13 ILE A 96 -5.361 -12.597 8.116 1.00 15.30 H new ATOM 1482 N PRO A 97 -1.333 -11.617 4.977 1.00 21.25 N ATOM 1483 CA PRO A 97 -0.404 -10.730 4.284 1.00 20.01 C ATOM 1484 C PRO A 97 -1.001 -10.233 2.967 1.00 2.24 C ATOM 1485 O PRO A 97 -1.083 -10.982 1.992 1.00 42.40 O ATOM 1486 CB PRO A 97 0.839 -11.612 4.031 1.00 44.00 C ATOM 1487 CG PRO A 97 0.508 -12.971 4.581 1.00 2.04 C ATOM 1488 CD PRO A 97 -0.990 -13.025 4.728 1.00 75.41 C ATOM 0 HA PRO A 97 -0.171 -9.835 4.861 1.00 20.01 H new ATOM 0 HB2 PRO A 97 1.067 -11.668 2.966 1.00 44.00 H new ATOM 0 HB3 PRO A 97 1.718 -11.196 4.524 1.00 44.00 H new ATOM 0 HG2 PRO A 97 0.860 -13.756 3.911 1.00 2.04 H new ATOM 0 HG3 PRO A 97 0.997 -13.129 5.542 1.00 2.04 H new ATOM 0 HD2 PRO A 97 -1.473 -13.408 3.829 1.00 75.41 H new ATOM 0 HD3 PRO A 97 -1.294 -13.669 5.553 1.00 75.41 H new ATOM 1496 N THR A 98 -1.441 -8.981 2.950 1.00 12.51 N ATOM 1497 CA THR A 98 -2.036 -8.394 1.753 1.00 2.10 C ATOM 1498 C THR A 98 -1.563 -6.951 1.561 1.00 73.54 C ATOM 1499 O THR A 98 -1.435 -6.194 2.527 1.00 61.22 O ATOM 1500 CB THR A 98 -3.583 -8.435 1.822 1.00 4.14 C ATOM 1501 OG1 THR A 98 -4.030 -9.788 2.009 1.00 65.52 O ATOM 1502 CG2 THR A 98 -4.214 -7.868 0.552 1.00 63.34 C ATOM 0 H THR A 98 -1.398 -8.351 3.751 1.00 12.51 H new ATOM 0 HA THR A 98 -1.710 -8.988 0.899 1.00 2.10 H new ATOM 0 HB THR A 98 -3.894 -7.820 2.666 1.00 4.14 H new ATOM 0 HG1 THR A 98 -4.221 -9.941 2.958 1.00 65.52 H new ATOM 0 HG21 THR A 98 -5.300 -7.912 0.634 1.00 63.34 H new ATOM 0 HG22 THR A 98 -3.902 -6.832 0.422 1.00 63.34 H new ATOM 0 HG23 THR A 98 -3.891 -8.455 -0.308 1.00 63.34 H new ATOM 1510 N ILE A 99 -1.266 -6.598 0.308 1.00 42.23 N ATOM 1511 CA ILE A 99 -0.850 -5.246 -0.056 1.00 54.02 C ATOM 1512 C ILE A 99 -1.822 -4.649 -1.072 1.00 1.05 C ATOM 1513 O ILE A 99 -1.950 -5.143 -2.192 1.00 34.15 O ATOM 1514 CB ILE A 99 0.593 -5.221 -0.650 1.00 15.44 C ATOM 1515 CG1 ILE A 99 1.659 -5.354 0.456 1.00 54.42 C ATOM 1516 CG2 ILE A 99 0.839 -3.943 -1.458 1.00 20.30 C ATOM 1517 CD1 ILE A 99 1.742 -6.727 1.099 1.00 62.23 C ATOM 0 H ILE A 99 -1.308 -7.243 -0.481 1.00 42.23 H new ATOM 0 HA ILE A 99 -0.854 -4.651 0.857 1.00 54.02 H new ATOM 0 HB ILE A 99 0.678 -6.078 -1.318 1.00 15.44 H new ATOM 0 HG12 ILE A 99 2.633 -5.107 0.034 1.00 54.42 H new ATOM 0 HG13 ILE A 99 1.451 -4.617 1.232 1.00 54.42 H new ATOM 0 HG21 ILE A 99 1.853 -3.955 -1.859 1.00 20.30 H new ATOM 0 HG22 ILE A 99 0.125 -3.889 -2.280 1.00 20.30 H new ATOM 0 HG23 ILE A 99 0.715 -3.074 -0.811 1.00 20.30 H new ATOM 0 HD11 ILE A 99 2.519 -6.724 1.864 1.00 62.23 H new ATOM 0 HD12 ILE A 99 0.784 -6.973 1.556 1.00 62.23 H new ATOM 0 HD13 ILE A 99 1.984 -7.470 0.339 1.00 62.23 H new ATOM 1529 N LEU A 100 -2.522 -3.605 -0.662 1.00 2.54 N ATOM 1530 CA LEU A 100 -3.388 -2.847 -1.557 1.00 24.14 C ATOM 1531 C LEU A 100 -2.588 -1.706 -2.186 1.00 65.02 C ATOM 1532 O LEU A 100 -1.570 -1.279 -1.639 1.00 64.42 O ATOM 1533 CB LEU A 100 -4.606 -2.285 -0.799 1.00 34.11 C ATOM 1534 CG LEU A 100 -5.609 -3.325 -0.254 1.00 61.22 C ATOM 1535 CD1 LEU A 100 -4.994 -4.159 0.871 1.00 21.30 C ATOM 1536 CD2 LEU A 100 -6.889 -2.637 0.220 1.00 23.11 C ATOM 0 H LEU A 100 -2.508 -3.258 0.297 1.00 2.54 H new ATOM 0 HA LEU A 100 -3.756 -3.512 -2.338 1.00 24.14 H new ATOM 0 HB2 LEU A 100 -4.243 -1.688 0.038 1.00 34.11 H new ATOM 0 HB3 LEU A 100 -5.142 -1.609 -1.465 1.00 34.11 H new ATOM 0 HG LEU A 100 -5.861 -4.005 -1.068 1.00 61.22 H new ATOM 0 HD11 LEU A 100 -5.727 -4.881 1.231 1.00 21.30 H new ATOM 0 HD12 LEU A 100 -4.118 -4.688 0.495 1.00 21.30 H new ATOM 0 HD13 LEU A 100 -4.698 -3.503 1.690 1.00 21.30 H new ATOM 0 HD21 LEU A 100 -7.584 -3.385 0.601 1.00 23.11 H new ATOM 0 HD22 LEU A 100 -6.649 -1.928 1.012 1.00 23.11 H new ATOM 0 HD23 LEU A 100 -7.348 -2.107 -0.615 1.00 23.11 H new ATOM 1548 N MET A 101 -3.031 -1.235 -3.343 1.00 10.22 N ATOM 1549 CA MET A 101 -2.384 -0.120 -4.030 1.00 70.35 C ATOM 1550 C MET A 101 -3.429 0.956 -4.324 1.00 52.51 C ATOM 1551 O MET A 101 -4.559 0.636 -4.684 1.00 33.22 O ATOM 1552 CB MET A 101 -1.735 -0.605 -5.349 1.00 42.20 C ATOM 1553 CG MET A 101 -0.828 -1.824 -5.198 1.00 53.11 C ATOM 1554 SD MET A 101 0.156 -2.150 -6.674 1.00 73.13 S ATOM 1555 CE MET A 101 1.179 -0.678 -6.726 1.00 35.13 C ATOM 0 H MET A 101 -3.844 -1.610 -3.832 1.00 10.22 H new ATOM 0 HA MET A 101 -1.601 0.293 -3.394 1.00 70.35 H new ATOM 0 HB2 MET A 101 -2.525 -0.842 -6.062 1.00 42.20 H new ATOM 0 HB3 MET A 101 -1.155 0.213 -5.776 1.00 42.20 H new ATOM 0 HG2 MET A 101 -0.162 -1.672 -4.349 1.00 53.11 H new ATOM 0 HG3 MET A 101 -1.438 -2.699 -4.973 1.00 53.11 H new ATOM 0 HE1 MET A 101 2.102 -0.895 -7.264 1.00 35.13 H new ATOM 0 HE2 MET A 101 0.641 0.121 -7.236 1.00 35.13 H new ATOM 0 HE3 MET A 101 1.416 -0.364 -5.710 1.00 35.13 H new ATOM 1565 N PHE A 102 -3.064 2.227 -4.152 1.00 73.32 N ATOM 1566 CA PHE A 102 -3.954 3.349 -4.472 1.00 44.22 C ATOM 1567 C PHE A 102 -3.128 4.540 -4.948 1.00 10.44 C ATOM 1568 O PHE A 102 -1.940 4.622 -4.650 1.00 72.44 O ATOM 1569 CB PHE A 102 -4.794 3.747 -3.248 1.00 51.54 C ATOM 1570 CG PHE A 102 -5.671 2.637 -2.734 1.00 31.42 C ATOM 1571 CD1 PHE A 102 -6.854 2.316 -3.382 1.00 31.13 C ATOM 1572 CD2 PHE A 102 -5.304 1.901 -1.616 1.00 34.11 C ATOM 1573 CE1 PHE A 102 -7.653 1.286 -2.924 1.00 43.53 C ATOM 1574 CE2 PHE A 102 -6.097 0.869 -1.158 1.00 25.52 C ATOM 1575 CZ PHE A 102 -7.273 0.561 -1.811 1.00 63.44 C ATOM 0 H PHE A 102 -2.153 2.509 -3.791 1.00 73.32 H new ATOM 0 HA PHE A 102 -4.633 3.038 -5.266 1.00 44.22 H new ATOM 0 HB2 PHE A 102 -4.127 4.071 -2.449 1.00 51.54 H new ATOM 0 HB3 PHE A 102 -5.418 4.602 -3.508 1.00 51.54 H new ATOM 0 HD1 PHE A 102 -7.154 2.877 -4.254 1.00 31.13 H new ATOM 0 HD2 PHE A 102 -4.387 2.139 -1.098 1.00 34.11 H new ATOM 0 HE1 PHE A 102 -8.574 1.048 -3.436 1.00 43.53 H new ATOM 0 HE2 PHE A 102 -5.797 0.302 -0.289 1.00 25.52 H new ATOM 0 HZ PHE A 102 -7.895 -0.246 -1.453 1.00 63.44 H new ATOM 1585 N LYS A 103 -3.738 5.453 -5.707 1.00 30.43 N ATOM 1586 CA LYS A 103 -3.032 6.671 -6.118 1.00 64.31 C ATOM 1587 C LYS A 103 -3.996 7.836 -6.326 1.00 35.02 C ATOM 1588 O LYS A 103 -4.777 7.840 -7.277 1.00 33.32 O ATOM 1589 CB LYS A 103 -2.209 6.438 -7.399 1.00 51.14 C ATOM 1590 CG LYS A 103 -1.350 7.646 -7.795 1.00 1.13 C ATOM 1591 CD LYS A 103 -0.456 7.368 -9.007 1.00 64.15 C ATOM 1592 CE LYS A 103 -1.259 7.146 -10.282 1.00 60.44 C ATOM 1593 NZ LYS A 103 -0.378 6.936 -11.464 1.00 74.03 N ATOM 0 H LYS A 103 -4.698 5.377 -6.044 1.00 30.43 H new ATOM 0 HA LYS A 103 -2.350 6.929 -5.308 1.00 64.31 H new ATOM 0 HB2 LYS A 103 -1.562 5.572 -7.255 1.00 51.14 H new ATOM 0 HB3 LYS A 103 -2.886 6.197 -8.219 1.00 51.14 H new ATOM 0 HG2 LYS A 103 -2.001 8.492 -8.016 1.00 1.13 H new ATOM 0 HG3 LYS A 103 -0.727 7.936 -6.949 1.00 1.13 H new ATOM 0 HD2 LYS A 103 0.226 8.206 -9.152 1.00 64.15 H new ATOM 0 HD3 LYS A 103 0.157 6.489 -8.809 1.00 64.15 H new ATOM 0 HE2 LYS A 103 -1.909 6.280 -10.155 1.00 60.44 H new ATOM 0 HE3 LYS A 103 -1.905 8.006 -10.459 1.00 60.44 H new ATOM 0 HZ1 LYS A 103 -0.929 6.511 -12.237 1.00 74.03 H new ATOM 0 HZ2 LYS A 103 0.008 7.850 -11.776 1.00 74.03 H new ATOM 0 HZ3 LYS A 103 0.404 6.300 -11.206 1.00 74.03 H new ATOM 1607 N ASN A 104 -3.938 8.814 -5.420 1.00 14.30 N ATOM 1608 CA ASN A 104 -4.708 10.060 -5.538 1.00 41.22 C ATOM 1609 C ASN A 104 -6.207 9.775 -5.679 1.00 73.45 C ATOM 1610 O ASN A 104 -6.930 10.468 -6.401 1.00 20.32 O ATOM 1611 CB ASN A 104 -4.189 10.886 -6.729 1.00 63.00 C ATOM 1612 CG ASN A 104 -4.709 12.316 -6.733 1.00 13.13 C ATOM 1613 OD1 ASN A 104 -4.989 12.893 -5.682 1.00 44.01 O ATOM 1614 ND2 ASN A 104 -4.831 12.900 -7.914 1.00 3.24 N ATOM 0 H ASN A 104 -3.357 8.767 -4.583 1.00 14.30 H new ATOM 0 HA ASN A 104 -4.572 10.639 -4.624 1.00 41.22 H new ATOM 0 HB2 ASN A 104 -3.099 10.902 -6.706 1.00 63.00 H new ATOM 0 HB3 ASN A 104 -4.481 10.397 -7.658 1.00 63.00 H new ATOM 0 HD21 ASN A 104 -5.167 13.861 -7.975 1.00 3.24 H new ATOM 0 HD22 ASN A 104 -4.589 12.389 -8.763 1.00 3.24 H new ATOM 1621 N GLY A 105 -6.666 8.753 -4.970 1.00 22.24 N ATOM 1622 CA GLY A 105 -8.071 8.381 -5.002 1.00 5.41 C ATOM 1623 C GLY A 105 -8.381 7.341 -6.064 1.00 10.34 C ATOM 1624 O GLY A 105 -9.430 6.698 -6.015 1.00 71.52 O ATOM 0 H GLY A 105 -6.086 8.169 -4.367 1.00 22.24 H new ATOM 0 HA2 GLY A 105 -8.362 7.994 -4.025 1.00 5.41 H new ATOM 0 HA3 GLY A 105 -8.674 9.271 -5.185 1.00 5.41 H new ATOM 1628 N LYS A 106 -7.469 7.166 -7.017 1.00 22.13 N ATOM 1629 CA LYS A 106 -7.630 6.151 -8.056 1.00 22.34 C ATOM 1630 C LYS A 106 -7.373 4.763 -7.486 1.00 23.13 C ATOM 1631 O LYS A 106 -6.400 4.553 -6.741 1.00 34.24 O ATOM 1632 CB LYS A 106 -6.703 6.427 -9.255 1.00 70.24 C ATOM 1633 CG LYS A 106 -6.413 5.189 -10.115 1.00 44.53 C ATOM 1634 CD LYS A 106 -6.067 5.547 -11.557 1.00 53.44 C ATOM 1635 CE LYS A 106 -7.296 6.040 -12.310 1.00 30.12 C ATOM 1636 NZ LYS A 106 -7.011 6.312 -13.741 1.00 44.54 N ATOM 0 H LYS A 106 -6.611 7.713 -7.092 1.00 22.13 H new ATOM 0 HA LYS A 106 -8.658 6.195 -8.415 1.00 22.34 H new ATOM 0 HB2 LYS A 106 -7.155 7.195 -9.882 1.00 70.24 H new ATOM 0 HB3 LYS A 106 -5.760 6.831 -8.887 1.00 70.24 H new ATOM 0 HG2 LYS A 106 -5.587 4.630 -9.675 1.00 44.53 H new ATOM 0 HG3 LYS A 106 -7.283 4.532 -10.106 1.00 44.53 H new ATOM 0 HD2 LYS A 106 -5.296 6.318 -11.569 1.00 53.44 H new ATOM 0 HD3 LYS A 106 -5.653 4.674 -12.062 1.00 53.44 H new ATOM 0 HE2 LYS A 106 -8.088 5.295 -12.235 1.00 30.12 H new ATOM 0 HE3 LYS A 106 -7.668 6.949 -11.837 1.00 30.12 H new ATOM 0 HZ1 LYS A 106 -7.877 6.645 -14.210 1.00 44.54 H new ATOM 0 HZ2 LYS A 106 -6.274 7.042 -13.816 1.00 44.54 H new ATOM 0 HZ3 LYS A 106 -6.681 5.440 -14.201 1.00 44.54 H new ATOM 1650 N LYS A 107 -8.254 3.827 -7.843 1.00 71.12 N ATOM 1651 CA LYS A 107 -8.177 2.463 -7.354 1.00 31.01 C ATOM 1652 C LYS A 107 -7.100 1.682 -8.099 1.00 44.42 C ATOM 1653 O LYS A 107 -7.338 1.063 -9.139 1.00 64.41 O ATOM 1654 CB LYS A 107 -9.547 1.768 -7.451 1.00 3.24 C ATOM 1655 CG LYS A 107 -10.620 2.440 -6.593 1.00 52.52 C ATOM 1656 CD LYS A 107 -10.181 2.548 -5.132 1.00 62.53 C ATOM 1657 CE LYS A 107 -11.135 3.398 -4.297 1.00 73.11 C ATOM 1658 NZ LYS A 107 -12.499 2.813 -4.223 1.00 71.53 N ATOM 0 H LYS A 107 -9.035 3.999 -8.476 1.00 71.12 H new ATOM 0 HA LYS A 107 -7.896 2.491 -6.301 1.00 31.01 H new ATOM 0 HB2 LYS A 107 -9.872 1.762 -8.491 1.00 3.24 H new ATOM 0 HB3 LYS A 107 -9.443 0.727 -7.144 1.00 3.24 H new ATOM 0 HG2 LYS A 107 -10.831 3.435 -6.985 1.00 52.52 H new ATOM 0 HG3 LYS A 107 -11.547 1.870 -6.655 1.00 52.52 H new ATOM 0 HD2 LYS A 107 -10.117 1.549 -4.700 1.00 62.53 H new ATOM 0 HD3 LYS A 107 -9.181 2.979 -5.087 1.00 62.53 H new ATOM 0 HE2 LYS A 107 -10.734 3.506 -3.289 1.00 73.11 H new ATOM 0 HE3 LYS A 107 -11.195 4.399 -4.725 1.00 73.11 H new ATOM 0 HZ1 LYS A 107 -13.197 3.521 -4.526 1.00 71.53 H new ATOM 0 HZ2 LYS A 107 -12.555 1.983 -4.847 1.00 71.53 H new ATOM 0 HZ3 LYS A 107 -12.701 2.525 -3.244 1.00 71.53 H new ATOM 1672 N LEU A 108 -5.907 1.789 -7.554 1.00 23.02 N ATOM 1673 CA LEU A 108 -4.738 1.032 -7.966 1.00 71.10 C ATOM 1674 C LEU A 108 -4.887 -0.430 -7.531 1.00 32.42 C ATOM 1675 O LEU A 108 -5.804 -0.772 -6.781 1.00 13.22 O ATOM 1676 CB LEU A 108 -3.453 1.678 -7.420 1.00 62.54 C ATOM 1677 CG LEU A 108 -2.418 2.112 -8.468 1.00 54.14 C ATOM 1678 CD1 LEU A 108 -1.861 0.902 -9.213 1.00 74.52 C ATOM 1679 CD2 LEU A 108 -3.026 3.123 -9.442 1.00 24.33 C ATOM 0 H LEU A 108 -5.715 2.429 -6.783 1.00 23.02 H new ATOM 0 HA LEU A 108 -4.659 1.047 -9.053 1.00 71.10 H new ATOM 0 HB2 LEU A 108 -3.732 2.552 -6.831 1.00 62.54 H new ATOM 0 HB3 LEU A 108 -2.977 0.973 -6.739 1.00 62.54 H new ATOM 0 HG LEU A 108 -1.591 2.597 -7.950 1.00 54.14 H new ATOM 0 HD11 LEU A 108 -1.130 1.234 -9.950 1.00 74.52 H new ATOM 0 HD12 LEU A 108 -1.381 0.227 -8.504 1.00 74.52 H new ATOM 0 HD13 LEU A 108 -2.674 0.380 -9.718 1.00 74.52 H new ATOM 0 HD21 LEU A 108 -2.276 3.417 -10.176 1.00 24.33 H new ATOM 0 HD22 LEU A 108 -3.876 2.670 -9.953 1.00 24.33 H new ATOM 0 HD23 LEU A 108 -3.360 4.003 -8.892 1.00 24.33 H new ATOM 1691 N SER A 109 -4.011 -1.283 -8.033 1.00 3.24 N ATOM 1692 CA SER A 109 -4.168 -2.730 -7.954 1.00 2.00 C ATOM 1693 C SER A 109 -3.996 -3.258 -6.525 1.00 32.20 C ATOM 1694 O SER A 109 -3.848 -2.494 -5.579 1.00 23.12 O ATOM 1695 CB SER A 109 -3.078 -3.348 -8.834 1.00 74.31 C ATOM 1696 OG SER A 109 -3.344 -3.152 -10.214 1.00 22.12 O ATOM 0 H SER A 109 -3.160 -0.990 -8.513 1.00 3.24 H new ATOM 0 HA SER A 109 -5.174 -2.994 -8.281 1.00 2.00 H new ATOM 0 HB2 SER A 109 -2.114 -2.906 -8.583 1.00 74.31 H new ATOM 0 HB3 SER A 109 -3.004 -4.415 -8.626 1.00 74.31 H new ATOM 0 HG SER A 109 -2.500 -3.144 -10.712 1.00 22.12 H new ATOM 1702 N GLN A 110 -4.075 -4.574 -6.373 1.00 20.14 N ATOM 1703 CA GLN A 110 -3.956 -5.208 -5.065 1.00 62.12 C ATOM 1704 C GLN A 110 -3.186 -6.519 -5.183 1.00 13.44 C ATOM 1705 O GLN A 110 -3.584 -7.417 -5.932 1.00 33.40 O ATOM 1706 CB GLN A 110 -5.348 -5.454 -4.465 1.00 2.25 C ATOM 1707 CG GLN A 110 -5.324 -6.114 -3.089 1.00 21.44 C ATOM 1708 CD GLN A 110 -6.714 -6.309 -2.504 1.00 63.23 C ATOM 1709 OE1 GLN A 110 -7.630 -5.531 -2.770 1.00 50.30 O ATOM 1710 NE2 GLN A 110 -6.883 -7.353 -1.708 1.00 31.25 N ATOM 0 H GLN A 110 -4.222 -5.226 -7.143 1.00 20.14 H new ATOM 0 HA GLN A 110 -3.406 -4.542 -4.401 1.00 62.12 H new ATOM 0 HB2 GLN A 110 -5.874 -4.502 -4.391 1.00 2.25 H new ATOM 0 HB3 GLN A 110 -5.921 -6.082 -5.148 1.00 2.25 H new ATOM 0 HG2 GLN A 110 -4.827 -7.081 -3.164 1.00 21.44 H new ATOM 0 HG3 GLN A 110 -4.731 -5.503 -2.408 1.00 21.44 H new ATOM 0 HE21 GLN A 110 -6.100 -7.976 -1.511 1.00 31.25 H new ATOM 0 HE22 GLN A 110 -7.796 -7.535 -1.292 1.00 31.25 H new ATOM 1719 N VAL A 111 -2.080 -6.613 -4.454 1.00 55.41 N ATOM 1720 CA VAL A 111 -1.244 -7.807 -4.447 1.00 12.14 C ATOM 1721 C VAL A 111 -1.497 -8.619 -3.177 1.00 32.45 C ATOM 1722 O VAL A 111 -1.247 -8.153 -2.064 1.00 64.13 O ATOM 1723 CB VAL A 111 0.262 -7.441 -4.539 1.00 24.13 C ATOM 1724 CG1 VAL A 111 1.128 -8.701 -4.622 1.00 70.20 C ATOM 1725 CG2 VAL A 111 0.521 -6.517 -5.732 1.00 62.22 C ATOM 0 H VAL A 111 -1.738 -5.864 -3.852 1.00 55.41 H new ATOM 0 HA VAL A 111 -1.507 -8.404 -5.321 1.00 12.14 H new ATOM 0 HB VAL A 111 0.538 -6.907 -3.630 1.00 24.13 H new ATOM 0 HG11 VAL A 111 2.178 -8.417 -4.686 1.00 70.20 H new ATOM 0 HG12 VAL A 111 0.970 -9.310 -3.732 1.00 70.20 H new ATOM 0 HG13 VAL A 111 0.853 -9.274 -5.508 1.00 70.20 H new ATOM 0 HG21 VAL A 111 1.582 -6.272 -5.779 1.00 62.22 H new ATOM 0 HG22 VAL A 111 0.223 -7.019 -6.653 1.00 62.22 H new ATOM 0 HG23 VAL A 111 -0.058 -5.601 -5.615 1.00 62.22 H new ATOM 1735 N ILE A 112 -2.019 -9.823 -3.354 1.00 63.31 N ATOM 1736 CA ILE A 112 -2.307 -10.720 -2.239 1.00 21.33 C ATOM 1737 C ILE A 112 -1.091 -11.594 -1.931 1.00 51.31 C ATOM 1738 O ILE A 112 -0.536 -12.235 -2.829 1.00 62.40 O ATOM 1739 CB ILE A 112 -3.524 -11.627 -2.556 1.00 25.20 C ATOM 1740 CG1 ILE A 112 -4.738 -10.767 -2.950 1.00 3.34 C ATOM 1741 CG2 ILE A 112 -3.857 -12.524 -1.359 1.00 3.22 C ATOM 1742 CD1 ILE A 112 -5.916 -11.576 -3.446 1.00 50.22 C ATOM 0 H ILE A 112 -2.255 -10.207 -4.269 1.00 63.31 H new ATOM 0 HA ILE A 112 -2.542 -10.106 -1.370 1.00 21.33 H new ATOM 0 HB ILE A 112 -3.269 -12.271 -3.398 1.00 25.20 H new ATOM 0 HG12 ILE A 112 -5.050 -10.177 -2.088 1.00 3.34 H new ATOM 0 HG13 ILE A 112 -4.438 -10.063 -3.727 1.00 3.34 H new ATOM 0 HG21 ILE A 112 -4.714 -13.152 -1.602 1.00 3.22 H new ATOM 0 HG22 ILE A 112 -2.999 -13.155 -1.127 1.00 3.22 H new ATOM 0 HG23 ILE A 112 -4.096 -11.904 -0.495 1.00 3.22 H new ATOM 0 HD11 ILE A 112 -6.735 -10.905 -3.705 1.00 50.22 H new ATOM 0 HD12 ILE A 112 -5.621 -12.146 -4.327 1.00 50.22 H new ATOM 0 HD13 ILE A 112 -6.242 -12.261 -2.663 1.00 50.22 H new ATOM 1754 N GLY A 113 -0.681 -11.613 -0.667 1.00 15.45 N ATOM 1755 CA GLY A 113 0.470 -12.397 -0.263 1.00 20.32 C ATOM 1756 C GLY A 113 1.774 -11.652 -0.468 1.00 61.40 C ATOM 1757 O GLY A 113 1.800 -10.421 -0.497 1.00 64.12 O ATOM 0 H GLY A 113 -1.129 -11.095 0.089 1.00 15.45 H new ATOM 0 HA2 GLY A 113 0.371 -12.669 0.788 1.00 20.32 H new ATOM 0 HA3 GLY A 113 0.492 -13.326 -0.832 1.00 20.32 H new ATOM 1761 N ALA A 114 2.855 -12.406 -0.611 1.00 11.35 N ATOM 1762 CA ALA A 114 4.179 -11.844 -0.817 1.00 1.22 C ATOM 1763 C ALA A 114 4.601 -12.037 -2.268 1.00 34.32 C ATOM 1764 O ALA A 114 4.773 -13.168 -2.730 1.00 24.32 O ATOM 1765 CB ALA A 114 5.185 -12.490 0.136 1.00 65.45 C ATOM 0 H ALA A 114 2.837 -13.426 -0.587 1.00 11.35 H new ATOM 0 HA ALA A 114 4.152 -10.776 -0.603 1.00 1.22 H new ATOM 0 HB1 ALA A 114 6.172 -12.059 -0.030 1.00 65.45 H new ATOM 0 HB2 ALA A 114 4.879 -12.309 1.166 1.00 65.45 H new ATOM 0 HB3 ALA A 114 5.222 -13.564 -0.048 1.00 65.45 H new ATOM 1771 N ASP A 115 4.709 -10.934 -2.995 1.00 54.13 N ATOM 1772 CA ASP A 115 5.190 -10.965 -4.375 1.00 64.11 C ATOM 1773 C ASP A 115 5.813 -9.621 -4.748 1.00 33.24 C ATOM 1774 O ASP A 115 5.164 -8.754 -5.348 1.00 53.44 O ATOM 1775 CB ASP A 115 4.056 -11.310 -5.350 1.00 52.44 C ATOM 1776 CG ASP A 115 4.576 -11.919 -6.643 1.00 70.10 C ATOM 1777 OD1 ASP A 115 5.250 -11.204 -7.417 1.00 60.43 O ATOM 1778 OD2 ASP A 115 4.314 -13.119 -6.889 1.00 14.52 O ATOM 0 H ASP A 115 4.470 -10.003 -2.654 1.00 54.13 H new ATOM 0 HA ASP A 115 5.950 -11.743 -4.449 1.00 64.11 H new ATOM 0 HB2 ASP A 115 3.368 -12.008 -4.872 1.00 52.44 H new ATOM 0 HB3 ASP A 115 3.488 -10.408 -5.578 1.00 52.44 H new ATOM 1783 N ILE A 116 7.076 -9.453 -4.366 1.00 34.10 N ATOM 1784 CA ILE A 116 7.794 -8.199 -4.565 1.00 31.51 C ATOM 1785 C ILE A 116 7.872 -7.850 -6.059 1.00 0.23 C ATOM 1786 O ILE A 116 7.881 -6.678 -6.430 1.00 62.33 O ATOM 1787 CB ILE A 116 9.219 -8.281 -3.926 1.00 71.31 C ATOM 1788 CG1 ILE A 116 9.697 -6.903 -3.413 1.00 1.24 C ATOM 1789 CG2 ILE A 116 10.239 -8.883 -4.894 1.00 55.41 C ATOM 1790 CD1 ILE A 116 10.039 -5.887 -4.483 1.00 74.01 C ATOM 0 H ILE A 116 7.628 -10.180 -3.911 1.00 34.10 H new ATOM 0 HA ILE A 116 7.246 -7.400 -4.066 1.00 31.51 H new ATOM 0 HB ILE A 116 9.141 -8.947 -3.067 1.00 71.31 H new ATOM 0 HG12 ILE A 116 8.919 -6.484 -2.775 1.00 1.24 H new ATOM 0 HG13 ILE A 116 10.576 -7.054 -2.787 1.00 1.24 H new ATOM 0 HG21 ILE A 116 11.217 -8.923 -4.414 1.00 55.41 H new ATOM 0 HG22 ILE A 116 9.928 -9.891 -5.170 1.00 55.41 H new ATOM 0 HG23 ILE A 116 10.300 -8.264 -5.789 1.00 55.41 H new ATOM 0 HD11 ILE A 116 10.362 -4.958 -4.013 1.00 74.01 H new ATOM 0 HD12 ILE A 116 10.842 -6.275 -5.110 1.00 74.01 H new ATOM 0 HD13 ILE A 116 9.159 -5.696 -5.098 1.00 74.01 H new ATOM 1802 N SER A 117 7.882 -8.878 -6.910 1.00 41.54 N ATOM 1803 CA SER A 117 7.984 -8.685 -8.355 1.00 75.30 C ATOM 1804 C SER A 117 6.728 -7.988 -8.882 1.00 22.15 C ATOM 1805 O SER A 117 6.804 -6.937 -9.528 1.00 2.43 O ATOM 1806 CB SER A 117 8.186 -10.038 -9.055 1.00 41.34 C ATOM 1807 OG SER A 117 8.480 -9.873 -10.434 1.00 32.04 O ATOM 0 H SER A 117 7.820 -9.854 -6.621 1.00 41.54 H new ATOM 0 HA SER A 117 8.846 -8.053 -8.569 1.00 75.30 H new ATOM 0 HB2 SER A 117 8.998 -10.581 -8.571 1.00 41.34 H new ATOM 0 HB3 SER A 117 7.287 -10.644 -8.944 1.00 41.34 H new ATOM 0 HG SER A 117 8.604 -10.752 -10.849 1.00 32.04 H new ATOM 1813 N LYS A 118 5.571 -8.571 -8.578 1.00 34.10 N ATOM 1814 CA LYS A 118 4.287 -7.997 -8.966 1.00 33.12 C ATOM 1815 C LYS A 118 4.148 -6.589 -8.399 1.00 24.40 C ATOM 1816 O LYS A 118 3.762 -5.653 -9.112 1.00 72.33 O ATOM 1817 CB LYS A 118 3.134 -8.891 -8.470 1.00 4.12 C ATOM 1818 CG LYS A 118 1.738 -8.321 -8.717 1.00 44.13 C ATOM 1819 CD LYS A 118 1.451 -8.104 -10.202 1.00 13.41 C ATOM 1820 CE LYS A 118 0.051 -7.545 -10.419 1.00 72.21 C ATOM 1821 NZ LYS A 118 -0.244 -7.310 -11.857 1.00 20.23 N ATOM 0 H LYS A 118 5.498 -9.447 -8.060 1.00 34.10 H new ATOM 0 HA LYS A 118 4.241 -7.941 -10.054 1.00 33.12 H new ATOM 0 HB2 LYS A 118 3.208 -9.862 -8.960 1.00 4.12 H new ATOM 0 HB3 LYS A 118 3.258 -9.063 -7.401 1.00 4.12 H new ATOM 0 HG2 LYS A 118 0.993 -8.999 -8.301 1.00 44.13 H new ATOM 0 HG3 LYS A 118 1.637 -7.373 -8.188 1.00 44.13 H new ATOM 0 HD2 LYS A 118 2.188 -7.418 -10.621 1.00 13.41 H new ATOM 0 HD3 LYS A 118 1.555 -9.048 -10.736 1.00 13.41 H new ATOM 0 HE2 LYS A 118 -0.683 -8.238 -10.008 1.00 72.21 H new ATOM 0 HE3 LYS A 118 -0.053 -6.609 -9.871 1.00 72.21 H new ATOM 0 HZ1 LYS A 118 -1.266 -7.413 -12.023 1.00 20.23 H new ATOM 0 HZ2 LYS A 118 0.055 -6.349 -12.120 1.00 20.23 H new ATOM 0 HZ3 LYS A 118 0.272 -8.004 -12.435 1.00 20.23 H new ATOM 1835 N ILE A 119 4.484 -6.442 -7.116 1.00 25.15 N ATOM 1836 CA ILE A 119 4.383 -5.152 -6.443 1.00 21.41 C ATOM 1837 C ILE A 119 5.195 -4.083 -7.177 1.00 5.21 C ATOM 1838 O ILE A 119 4.646 -3.061 -7.598 1.00 24.42 O ATOM 1839 CB ILE A 119 4.851 -5.239 -4.966 1.00 4.35 C ATOM 1840 CG1 ILE A 119 3.943 -6.200 -4.178 1.00 75.23 C ATOM 1841 CG2 ILE A 119 4.865 -3.855 -4.315 1.00 3.43 C ATOM 1842 CD1 ILE A 119 4.361 -6.407 -2.736 1.00 30.12 C ATOM 0 H ILE A 119 4.827 -7.200 -6.526 1.00 25.15 H new ATOM 0 HA ILE A 119 3.330 -4.870 -6.455 1.00 21.41 H new ATOM 0 HB ILE A 119 5.869 -5.627 -4.950 1.00 4.35 H new ATOM 0 HG12 ILE A 119 2.923 -5.816 -4.197 1.00 75.23 H new ATOM 0 HG13 ILE A 119 3.930 -7.166 -4.683 1.00 75.23 H new ATOM 0 HG21 ILE A 119 5.196 -3.943 -3.280 1.00 3.43 H new ATOM 0 HG22 ILE A 119 5.547 -3.203 -4.861 1.00 3.43 H new ATOM 0 HG23 ILE A 119 3.861 -3.431 -4.340 1.00 3.43 H new ATOM 0 HD11 ILE A 119 3.670 -7.097 -2.252 1.00 30.12 H new ATOM 0 HD12 ILE A 119 5.369 -6.822 -2.705 1.00 30.12 H new ATOM 0 HD13 ILE A 119 4.346 -5.451 -2.212 1.00 30.12 H new ATOM 1854 N ILE A 120 6.493 -4.334 -7.365 1.00 75.34 N ATOM 1855 CA ILE A 120 7.374 -3.348 -7.989 1.00 32.23 C ATOM 1856 C ILE A 120 6.941 -3.071 -9.428 1.00 61.30 C ATOM 1857 O ILE A 120 7.054 -1.935 -9.913 1.00 13.30 O ATOM 1858 CB ILE A 120 8.871 -3.781 -7.959 1.00 4.24 C ATOM 1859 CG1 ILE A 120 9.771 -2.636 -8.459 1.00 75.12 C ATOM 1860 CG2 ILE A 120 9.099 -5.041 -8.792 1.00 61.03 C ATOM 1861 CD1 ILE A 120 11.251 -2.957 -8.430 1.00 73.04 C ATOM 0 H ILE A 120 6.953 -5.204 -7.096 1.00 75.34 H new ATOM 0 HA ILE A 120 7.286 -2.434 -7.401 1.00 32.23 H new ATOM 0 HB ILE A 120 9.134 -4.009 -6.926 1.00 4.24 H new ATOM 0 HG12 ILE A 120 9.485 -2.382 -9.480 1.00 75.12 H new ATOM 0 HG13 ILE A 120 9.590 -1.752 -7.848 1.00 75.12 H new ATOM 0 HG21 ILE A 120 10.152 -5.318 -8.752 1.00 61.03 H new ATOM 0 HG22 ILE A 120 8.494 -5.855 -8.393 1.00 61.03 H new ATOM 0 HG23 ILE A 120 8.814 -4.850 -9.826 1.00 61.03 H new ATOM 0 HD11 ILE A 120 11.816 -2.100 -8.797 1.00 73.04 H new ATOM 0 HD12 ILE A 120 11.555 -3.181 -7.407 1.00 73.04 H new ATOM 0 HD13 ILE A 120 11.448 -3.821 -9.065 1.00 73.04 H new ATOM 1873 N SER A 121 6.430 -4.104 -10.103 1.00 33.34 N ATOM 1874 CA SER A 121 5.956 -3.964 -11.473 1.00 44.30 C ATOM 1875 C SER A 121 4.826 -2.933 -11.535 1.00 4.42 C ATOM 1876 O SER A 121 4.890 -1.969 -12.310 1.00 53.45 O ATOM 1877 CB SER A 121 5.479 -5.317 -12.023 1.00 20.30 C ATOM 1878 OG SER A 121 5.159 -5.224 -13.401 1.00 54.23 O ATOM 0 H SER A 121 6.336 -5.044 -9.719 1.00 33.34 H new ATOM 0 HA SER A 121 6.783 -3.617 -12.093 1.00 44.30 H new ATOM 0 HB2 SER A 121 6.256 -6.067 -11.877 1.00 20.30 H new ATOM 0 HB3 SER A 121 4.604 -5.652 -11.465 1.00 20.30 H new ATOM 0 HG SER A 121 4.860 -6.098 -13.727 1.00 54.23 H new ATOM 1884 N GLU A 122 3.814 -3.116 -10.685 1.00 44.04 N ATOM 1885 CA GLU A 122 2.691 -2.186 -10.623 1.00 31.21 C ATOM 1886 C GLU A 122 3.182 -0.793 -10.228 1.00 62.21 C ATOM 1887 O GLU A 122 2.732 0.221 -10.778 1.00 74.14 O ATOM 1888 CB GLU A 122 1.634 -2.672 -9.617 1.00 44.00 C ATOM 1889 CG GLU A 122 0.976 -4.001 -9.981 1.00 23.41 C ATOM 1890 CD GLU A 122 0.241 -3.956 -11.312 1.00 34.22 C ATOM 1891 OE1 GLU A 122 -0.724 -3.174 -11.438 1.00 14.24 O ATOM 1892 OE2 GLU A 122 0.614 -4.710 -12.235 1.00 75.10 O ATOM 0 H GLU A 122 3.751 -3.898 -10.033 1.00 44.04 H new ATOM 0 HA GLU A 122 2.233 -2.138 -11.611 1.00 31.21 H new ATOM 0 HB2 GLU A 122 2.101 -2.769 -8.637 1.00 44.00 H new ATOM 0 HB3 GLU A 122 0.859 -1.910 -9.527 1.00 44.00 H new ATOM 0 HG2 GLU A 122 1.738 -4.779 -10.020 1.00 23.41 H new ATOM 0 HG3 GLU A 122 0.275 -4.280 -9.194 1.00 23.41 H new ATOM 1899 N ILE A 123 4.122 -0.754 -9.284 1.00 55.11 N ATOM 1900 CA ILE A 123 4.651 0.505 -8.775 1.00 64.01 C ATOM 1901 C ILE A 123 5.233 1.359 -9.903 1.00 11.41 C ATOM 1902 O ILE A 123 4.782 2.480 -10.118 1.00 3.13 O ATOM 1903 CB ILE A 123 5.726 0.275 -7.673 1.00 34.12 C ATOM 1904 CG1 ILE A 123 5.076 -0.294 -6.400 1.00 34.30 C ATOM 1905 CG2 ILE A 123 6.477 1.569 -7.359 1.00 14.25 C ATOM 1906 CD1 ILE A 123 6.058 -0.537 -5.270 1.00 25.44 C ATOM 0 H ILE A 123 4.532 -1.585 -8.857 1.00 55.11 H new ATOM 0 HA ILE A 123 3.814 1.041 -8.327 1.00 64.01 H new ATOM 0 HB ILE A 123 6.448 -0.450 -8.050 1.00 34.12 H new ATOM 0 HG12 ILE A 123 4.305 0.396 -6.057 1.00 34.30 H new ATOM 0 HG13 ILE A 123 4.578 -1.232 -6.645 1.00 34.30 H new ATOM 0 HG21 ILE A 123 7.222 1.379 -6.586 1.00 14.25 H new ATOM 0 HG22 ILE A 123 6.973 1.930 -8.260 1.00 14.25 H new ATOM 0 HG23 ILE A 123 5.772 2.322 -7.007 1.00 14.25 H new ATOM 0 HD11 ILE A 123 5.527 -0.938 -4.407 1.00 25.44 H new ATOM 0 HD12 ILE A 123 6.816 -1.251 -5.594 1.00 25.44 H new ATOM 0 HD13 ILE A 123 6.538 0.403 -4.997 1.00 25.44 H new ATOM 1918 N ASN A 124 6.187 0.821 -10.661 1.00 65.23 N ATOM 1919 CA ASN A 124 6.815 1.604 -11.733 1.00 44.32 C ATOM 1920 C ASN A 124 5.823 1.835 -12.866 1.00 52.21 C ATOM 1921 O ASN A 124 5.835 2.891 -13.503 1.00 53.33 O ATOM 1922 CB ASN A 124 8.099 0.935 -12.258 1.00 34.52 C ATOM 1923 CG ASN A 124 7.852 -0.359 -13.023 1.00 55.42 C ATOM 1924 OD1 ASN A 124 7.986 -1.487 -12.348 1.00 62.33 O flip ATOM 1925 ND2 ASN A 124 7.566 -0.344 -14.219 1.00 33.03 N flip ATOM 0 H ASN A 124 6.538 -0.131 -10.560 1.00 65.23 H new ATOM 0 HA ASN A 124 7.104 2.568 -11.314 1.00 44.32 H new ATOM 0 HB2 ASN A 124 8.622 1.636 -12.908 1.00 34.52 H new ATOM 0 HB3 ASN A 124 8.759 0.727 -11.416 1.00 34.52 H new ATOM 0 HD21 ASN A 124 7.470 0.545 -14.709 1.00 33.03 H new ATOM 0 HD22 ASN A 124 7.424 -1.221 -14.721 1.00 33.03 H new ATOM 1932 N ASN A 125 4.947 0.855 -13.088 1.00 3.32 N ATOM 1933 CA ASN A 125 3.894 0.976 -14.094 1.00 43.00 C ATOM 1934 C ASN A 125 3.005 2.182 -13.791 1.00 33.24 C ATOM 1935 O ASN A 125 2.545 2.876 -14.701 1.00 22.11 O ATOM 1936 CB ASN A 125 3.043 -0.304 -14.138 1.00 62.44 C ATOM 1937 CG ASN A 125 1.897 -0.230 -15.143 1.00 50.55 C ATOM 1938 OD1 ASN A 125 2.001 0.422 -16.183 1.00 15.30 O ATOM 1939 ND2 ASN A 125 0.796 -0.903 -14.840 1.00 2.12 N ATOM 0 H ASN A 125 4.947 -0.032 -12.584 1.00 3.32 H new ATOM 0 HA ASN A 125 4.364 1.119 -15.067 1.00 43.00 H new ATOM 0 HB2 ASN A 125 3.683 -1.150 -14.389 1.00 62.44 H new ATOM 0 HB3 ASN A 125 2.635 -0.496 -13.145 1.00 62.44 H new ATOM 0 HD21 ASN A 125 -0.000 -0.892 -15.477 1.00 2.12 H new ATOM 0 HD22 ASN A 125 0.745 -1.432 -13.970 1.00 2.12 H new ATOM 1946 N ASN A 126 2.769 2.440 -12.503 1.00 0.51 N ATOM 1947 CA ASN A 126 1.858 3.512 -12.095 1.00 33.55 C ATOM 1948 C ASN A 126 2.575 4.716 -11.476 1.00 11.25 C ATOM 1949 O ASN A 126 1.918 5.670 -11.059 1.00 21.11 O ATOM 1950 CB ASN A 126 0.791 2.969 -11.146 1.00 15.50 C ATOM 1951 CG ASN A 126 -0.189 2.053 -11.860 1.00 31.42 C ATOM 1952 OD1 ASN A 126 -1.224 2.499 -12.360 1.00 14.14 O ATOM 1953 ND2 ASN A 126 0.130 0.769 -11.924 1.00 50.31 N ATOM 0 H ASN A 126 3.192 1.926 -11.730 1.00 0.51 H new ATOM 0 HA ASN A 126 1.381 3.879 -13.004 1.00 33.55 H new ATOM 0 HB2 ASN A 126 1.271 2.424 -10.333 1.00 15.50 H new ATOM 0 HB3 ASN A 126 0.249 3.800 -10.696 1.00 15.50 H new ATOM 0 HD21 ASN A 126 -0.490 0.113 -12.399 1.00 50.31 H new ATOM 0 HD22 ASN A 126 0.995 0.437 -11.498 1.00 50.31 H new ATOM 1960 N ILE A 127 3.903 4.681 -11.399 1.00 3.11 N ATOM 1961 CA ILE A 127 4.672 5.891 -11.092 1.00 24.02 C ATOM 1962 C ILE A 127 4.887 6.663 -12.384 1.00 42.20 C ATOM 1963 O ILE A 127 4.577 7.852 -12.476 1.00 2.05 O ATOM 1964 CB ILE A 127 6.053 5.599 -10.438 1.00 41.21 C ATOM 1965 CG1 ILE A 127 5.888 5.035 -9.018 1.00 74.34 C ATOM 1966 CG2 ILE A 127 6.914 6.866 -10.401 1.00 64.32 C ATOM 1967 CD1 ILE A 127 7.209 4.781 -8.316 1.00 42.44 C ATOM 0 H ILE A 127 4.466 3.842 -11.542 1.00 3.11 H new ATOM 0 HA ILE A 127 4.098 6.466 -10.365 1.00 24.02 H new ATOM 0 HB ILE A 127 6.555 4.849 -11.049 1.00 41.21 H new ATOM 0 HG12 ILE A 127 5.297 5.732 -8.424 1.00 74.34 H new ATOM 0 HG13 ILE A 127 5.326 4.103 -9.068 1.00 74.34 H new ATOM 0 HG21 ILE A 127 7.875 6.639 -9.940 1.00 64.32 H new ATOM 0 HG22 ILE A 127 7.075 7.226 -11.417 1.00 64.32 H new ATOM 0 HG23 ILE A 127 6.405 7.635 -9.820 1.00 64.32 H new ATOM 0 HD11 ILE A 127 7.021 4.384 -7.319 1.00 42.44 H new ATOM 0 HD12 ILE A 127 7.793 4.061 -8.889 1.00 42.44 H new ATOM 0 HD13 ILE A 127 7.764 5.716 -8.235 1.00 42.44 H new ATOM 1979 N ASN A 128 5.417 5.966 -13.383 1.00 33.33 N ATOM 1980 CA ASN A 128 5.582 6.544 -14.714 1.00 24.54 C ATOM 1981 C ASN A 128 4.285 6.377 -15.514 1.00 55.12 C ATOM 1982 O ASN A 128 4.219 5.495 -16.395 1.00 43.20 O ATOM 1983 CB ASN A 128 6.776 5.897 -15.445 1.00 1.13 C ATOM 1984 CG ASN A 128 8.137 6.358 -14.932 1.00 74.11 C ATOM 1985 OD1 ASN A 128 8.209 6.747 -13.667 1.00 30.51 O flip ATOM 1986 ND2 ASN A 128 9.119 6.368 -15.676 1.00 64.40 N flip ATOM 1987 OXT ASN A 128 3.312 7.108 -15.226 1.00 0.00 O ATOM 0 H ASN A 128 5.739 5.002 -13.298 1.00 33.33 H new ATOM 0 HA ASN A 128 5.795 7.609 -14.617 1.00 24.54 H new ATOM 0 HB2 ASN A 128 6.708 4.814 -15.344 1.00 1.13 H new ATOM 0 HB3 ASN A 128 6.704 6.123 -16.509 1.00 1.13 H new ATOM 0 HD21 ASN A 128 9.028 6.062 -16.645 1.00 64.40 H new ATOM 0 HD22 ASN A 128 10.023 6.682 -15.323 1.00 64.40 H new TER 1994 ASN A 128