USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot -70:sc= 1.47 USER MOD Set 1.2: A 79 ASN : amide:sc= 0.608 K(o=2.1,f=1.2) USER MOD Set 2.1: A 30 SER OG : rot -32:sc= 0.213 USER MOD Set 2.2: A 61 TYR OH : rot 30:sc= -1.46 USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00264 (180deg=-0.154) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.03 (180deg=0.411!) USER MOD Single : A 3 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0.015) USER MOD Single : A 4 HIS : no HD1:sc=-0.00574 X(o=-0.0057,f=-0.078) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 6 HIS : no HD1:sc=-0.00246 X(o=-0.0025,f=-0.0029) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.056) USER MOD Single : A 9 SER OG : rot 47:sc= 0.302 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 37:sc= 0.158 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc=-0.00256 (180deg=-0.0581) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.389 F(o=-1.8,f=-0.39) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0782 (180deg=-0.49) USER MOD Single : A 38 THR OG1 : rot -164:sc= -0.497 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0393) USER MOD Single : A 49 TYR OH : rot -153:sc= 0.0146 USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0249) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= -0.253 (180deg=-0.258) USER MOD Single : A 53 MET CE :methyl -175:sc=-0.00968 (180deg=-0.0659) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.402 X(o=0.4,f=-0.0054) USER MOD Single : A 73 TYR OH : rot 57:sc= 0.505 USER MOD Single : A 74 TYR OH : rot 87:sc= 0.52 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00724) USER MOD Single : A 81 LYS NZ :NH3+ 136:sc= -0.673 (180deg=-2.7!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -107:sc= -0.314 USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= -0.0381 (180deg=-0.363) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 166:sc= 0.0811 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0565) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.8!) USER MOD Single : A 99 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.34) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN :FLIP amide:sc=-0.00774 F(o=-1.6!,f=-0.0077) USER MOD Single : A 105 LYS NZ :NH3+ -169:sc= -0.599 (180deg=-0.988) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -37.551 -23.763 -20.800 1.00 24.22 N ATOM 2 CA MET A 1 -36.582 -24.641 -21.521 1.00 21.45 C ATOM 3 C MET A 1 -35.179 -24.560 -20.870 1.00 52.44 C ATOM 4 O MET A 1 -34.649 -23.461 -20.673 1.00 61.22 O ATOM 5 CB MET A 1 -36.496 -24.248 -23.026 1.00 42.12 C ATOM 6 CG MET A 1 -37.820 -24.369 -23.803 1.00 25.51 C ATOM 7 SD MET A 1 -39.106 -23.240 -23.205 1.00 24.43 S ATOM 8 CE MET A 1 -38.450 -21.627 -23.655 1.00 35.11 C ATOM 0 H1 MET A 1 -38.320 -23.492 -21.445 1.00 24.22 H new ATOM 0 H2 MET A 1 -37.946 -24.277 -19.987 1.00 24.22 H new ATOM 0 H3 MET A 1 -37.062 -22.908 -20.465 1.00 24.22 H new ATOM 0 HA MET A 1 -36.941 -25.668 -21.449 1.00 21.45 H new ATOM 0 HB2 MET A 1 -36.141 -23.220 -23.099 1.00 42.12 H new ATOM 0 HB3 MET A 1 -35.749 -24.878 -23.509 1.00 42.12 H new ATOM 0 HG2 MET A 1 -37.634 -24.170 -24.858 1.00 25.51 H new ATOM 0 HG3 MET A 1 -38.184 -25.394 -23.731 1.00 25.51 H new ATOM 0 HE1 MET A 1 -39.223 -20.870 -23.522 1.00 35.11 H new ATOM 0 HE2 MET A 1 -37.597 -21.390 -23.018 1.00 35.11 H new ATOM 0 HE3 MET A 1 -38.132 -21.642 -24.697 1.00 35.11 H new ATOM 20 N GLY A 2 -34.600 -25.726 -20.499 1.00 34.52 N ATOM 21 CA GLY A 2 -33.209 -25.799 -19.995 1.00 14.21 C ATOM 22 C GLY A 2 -33.053 -25.544 -18.485 1.00 60.34 C ATOM 23 O GLY A 2 -32.276 -26.237 -17.806 1.00 20.52 O ATOM 0 H GLY A 2 -35.074 -26.628 -20.539 1.00 34.52 H new ATOM 0 HA2 GLY A 2 -32.806 -26.785 -20.226 1.00 14.21 H new ATOM 0 HA3 GLY A 2 -32.603 -25.072 -20.536 1.00 14.21 H new ATOM 27 N HIS A 3 -33.776 -24.530 -17.965 1.00 23.12 N ATOM 28 CA HIS A 3 -33.730 -24.145 -16.534 1.00 64.53 C ATOM 29 C HIS A 3 -34.308 -25.272 -15.633 1.00 13.31 C ATOM 30 O HIS A 3 -35.520 -25.516 -15.635 1.00 42.34 O ATOM 31 CB HIS A 3 -34.506 -22.818 -16.320 1.00 10.31 C ATOM 32 CG HIS A 3 -33.947 -21.639 -17.079 1.00 44.43 C ATOM 33 ND1 HIS A 3 -33.141 -20.687 -16.495 1.00 31.43 N ATOM 34 CD2 HIS A 3 -34.084 -21.256 -18.371 1.00 12.44 C ATOM 35 CE1 HIS A 3 -32.814 -19.775 -17.387 1.00 65.20 C ATOM 36 NE2 HIS A 3 -33.372 -20.096 -18.530 1.00 64.32 N ATOM 0 H HIS A 3 -34.408 -23.955 -18.522 1.00 23.12 H new ATOM 0 HA HIS A 3 -32.689 -23.995 -16.248 1.00 64.53 H new ATOM 0 HB2 HIS A 3 -35.544 -22.967 -16.617 1.00 10.31 H new ATOM 0 HB3 HIS A 3 -34.510 -22.581 -15.256 1.00 10.31 H new ATOM 0 HD2 HIS A 3 -34.650 -21.770 -19.134 1.00 12.44 H new ATOM 0 HE1 HIS A 3 -32.192 -18.910 -17.208 1.00 65.20 H new ATOM 0 HE2 HIS A 3 -33.289 -19.567 -19.398 1.00 64.32 H new ATOM 45 N HIS A 4 -33.429 -25.961 -14.879 1.00 2.14 N ATOM 46 CA HIS A 4 -33.815 -27.134 -14.047 1.00 23.24 C ATOM 47 C HIS A 4 -33.504 -26.902 -12.544 1.00 73.43 C ATOM 48 O HIS A 4 -32.798 -25.961 -12.181 1.00 12.21 O ATOM 49 CB HIS A 4 -33.087 -28.403 -14.567 1.00 12.24 C ATOM 50 CG HIS A 4 -31.593 -28.398 -14.370 1.00 53.42 C ATOM 51 ND1 HIS A 4 -30.727 -27.694 -15.179 1.00 54.43 N ATOM 52 CD2 HIS A 4 -30.815 -29.008 -13.444 1.00 44.21 C ATOM 53 CE1 HIS A 4 -29.490 -27.868 -14.757 1.00 75.11 C ATOM 54 NE2 HIS A 4 -29.518 -28.659 -13.711 1.00 75.20 N ATOM 0 H HIS A 4 -32.437 -25.728 -14.825 1.00 2.14 H new ATOM 0 HA HIS A 4 -34.893 -27.273 -14.134 1.00 23.24 H new ATOM 0 HB2 HIS A 4 -33.503 -29.276 -14.064 1.00 12.24 H new ATOM 0 HB3 HIS A 4 -33.299 -28.517 -15.630 1.00 12.24 H new ATOM 0 HD2 HIS A 4 -31.154 -29.650 -12.644 1.00 44.21 H new ATOM 0 HE1 HIS A 4 -28.605 -27.433 -15.197 1.00 75.11 H new ATOM 0 HE2 HIS A 4 -28.703 -28.966 -13.180 1.00 75.20 H new ATOM 63 N HIS A 5 -34.025 -27.801 -11.688 1.00 5.41 N ATOM 64 CA HIS A 5 -33.825 -27.756 -10.214 1.00 54.53 C ATOM 65 C HIS A 5 -32.694 -28.714 -9.768 1.00 34.43 C ATOM 66 O HIS A 5 -32.248 -29.574 -10.538 1.00 72.14 O ATOM 67 CB HIS A 5 -35.148 -28.106 -9.489 1.00 22.33 C ATOM 68 CG HIS A 5 -36.272 -27.139 -9.763 1.00 43.41 C ATOM 69 ND1 HIS A 5 -36.667 -26.167 -8.869 1.00 50.54 N ATOM 70 CD2 HIS A 5 -37.080 -26.990 -10.844 1.00 10.24 C ATOM 71 CE1 HIS A 5 -37.662 -25.473 -9.382 1.00 20.43 C ATOM 72 NE2 HIS A 5 -37.930 -25.948 -10.577 1.00 23.24 N ATOM 0 H HIS A 5 -34.600 -28.586 -11.994 1.00 5.41 H new ATOM 0 HA HIS A 5 -33.526 -26.743 -9.943 1.00 54.53 H new ATOM 0 HB2 HIS A 5 -35.461 -29.106 -9.789 1.00 22.33 H new ATOM 0 HB3 HIS A 5 -34.964 -28.139 -8.415 1.00 22.33 H new ATOM 0 HD2 HIS A 5 -37.057 -27.582 -11.747 1.00 10.24 H new ATOM 0 HE1 HIS A 5 -38.172 -24.651 -8.901 1.00 20.43 H new ATOM 0 HE2 HIS A 5 -38.654 -25.598 -11.205 1.00 23.24 H new ATOM 81 N HIS A 6 -32.239 -28.548 -8.507 1.00 43.22 N ATOM 82 CA HIS A 6 -31.139 -29.354 -7.918 1.00 42.33 C ATOM 83 C HIS A 6 -31.579 -30.820 -7.632 1.00 51.41 C ATOM 84 O HIS A 6 -32.738 -31.072 -7.287 1.00 33.11 O ATOM 85 CB HIS A 6 -30.605 -28.668 -6.625 1.00 0.40 C ATOM 86 CG HIS A 6 -31.599 -28.552 -5.489 1.00 34.32 C ATOM 87 ND1 HIS A 6 -32.314 -27.406 -5.231 1.00 72.34 N ATOM 88 CD2 HIS A 6 -31.982 -29.441 -4.534 1.00 51.00 C ATOM 89 CE1 HIS A 6 -33.089 -27.589 -4.184 1.00 43.00 C ATOM 90 NE2 HIS A 6 -32.910 -28.814 -3.744 1.00 65.35 N ATOM 0 H HIS A 6 -32.622 -27.853 -7.866 1.00 43.22 H new ATOM 0 HA HIS A 6 -30.332 -29.403 -8.650 1.00 42.33 H new ATOM 0 HB2 HIS A 6 -29.738 -29.226 -6.270 1.00 0.40 H new ATOM 0 HB3 HIS A 6 -30.257 -27.668 -6.883 1.00 0.40 H new ATOM 0 HD2 HIS A 6 -31.622 -30.453 -4.419 1.00 51.00 H new ATOM 0 HE1 HIS A 6 -33.759 -26.857 -3.758 1.00 43.00 H new ATOM 0 HE2 HIS A 6 -33.385 -29.231 -2.944 1.00 65.35 H new ATOM 99 N HIS A 7 -30.639 -31.781 -7.787 1.00 61.43 N ATOM 100 CA HIS A 7 -30.890 -33.224 -7.498 1.00 53.50 C ATOM 101 C HIS A 7 -29.746 -33.851 -6.648 1.00 41.10 C ATOM 102 O HIS A 7 -30.007 -34.415 -5.579 1.00 2.22 O ATOM 103 CB HIS A 7 -31.073 -34.033 -8.814 1.00 41.55 C ATOM 104 CG HIS A 7 -32.298 -33.671 -9.626 1.00 64.35 C ATOM 105 ND1 HIS A 7 -33.520 -34.281 -9.449 1.00 64.54 N ATOM 106 CD2 HIS A 7 -32.484 -32.767 -10.625 1.00 20.43 C ATOM 107 CE1 HIS A 7 -34.396 -33.779 -10.294 1.00 70.31 C ATOM 108 NE2 HIS A 7 -33.797 -32.860 -11.020 1.00 53.22 N ATOM 0 H HIS A 7 -29.692 -31.587 -8.112 1.00 61.43 H new ATOM 0 HA HIS A 7 -31.812 -33.275 -6.918 1.00 53.50 H new ATOM 0 HB2 HIS A 7 -30.189 -33.890 -9.436 1.00 41.55 H new ATOM 0 HB3 HIS A 7 -31.121 -35.093 -8.566 1.00 41.55 H new ATOM 0 HD2 HIS A 7 -31.738 -32.100 -11.032 1.00 20.43 H new ATOM 0 HE1 HIS A 7 -35.432 -34.072 -10.377 1.00 70.31 H new ATOM 0 HE2 HIS A 7 -34.236 -32.307 -11.756 1.00 53.22 H new ATOM 117 N HIS A 8 -28.482 -33.760 -7.129 1.00 52.00 N ATOM 118 CA HIS A 8 -27.325 -34.424 -6.461 1.00 32.15 C ATOM 119 C HIS A 8 -26.896 -33.690 -5.157 1.00 52.10 C ATOM 120 O HIS A 8 -26.266 -32.631 -5.190 1.00 12.22 O ATOM 121 CB HIS A 8 -26.133 -34.619 -7.450 1.00 72.22 C ATOM 122 CG HIS A 8 -25.649 -33.383 -8.193 1.00 2.33 C ATOM 123 ND1 HIS A 8 -26.000 -33.111 -9.501 1.00 32.14 N ATOM 124 CD2 HIS A 8 -24.813 -32.372 -7.827 1.00 32.01 C ATOM 125 CE1 HIS A 8 -25.405 -32.006 -9.903 1.00 3.12 C ATOM 126 NE2 HIS A 8 -24.685 -31.537 -8.908 1.00 54.01 N ATOM 0 H HIS A 8 -28.234 -33.239 -7.970 1.00 52.00 H new ATOM 0 HA HIS A 8 -27.656 -35.417 -6.156 1.00 32.15 H new ATOM 0 HB2 HIS A 8 -25.292 -35.031 -6.892 1.00 72.22 H new ATOM 0 HB3 HIS A 8 -26.423 -35.367 -8.188 1.00 72.22 H new ATOM 0 HD2 HIS A 8 -24.339 -32.250 -6.864 1.00 32.01 H new ATOM 0 HE1 HIS A 8 -25.494 -31.561 -10.883 1.00 3.12 H new ATOM 0 HE2 HIS A 8 -24.121 -30.688 -8.935 1.00 54.01 H new ATOM 135 N SER A 9 -27.288 -34.259 -4.000 1.00 41.51 N ATOM 136 CA SER A 9 -26.980 -33.679 -2.673 1.00 4.42 C ATOM 137 C SER A 9 -25.608 -34.170 -2.142 1.00 12.10 C ATOM 138 O SER A 9 -25.516 -35.181 -1.437 1.00 70.31 O ATOM 139 CB SER A 9 -28.117 -34.000 -1.670 1.00 73.44 C ATOM 140 OG SER A 9 -28.355 -35.396 -1.558 1.00 2.02 O ATOM 0 H SER A 9 -27.823 -35.126 -3.956 1.00 41.51 H new ATOM 0 HA SER A 9 -26.913 -32.597 -2.783 1.00 4.42 H new ATOM 0 HB2 SER A 9 -27.860 -33.597 -0.690 1.00 73.44 H new ATOM 0 HB3 SER A 9 -29.032 -33.501 -1.989 1.00 73.44 H new ATOM 0 HG SER A 9 -27.501 -35.867 -1.460 1.00 2.02 H new ATOM 146 N HIS A 10 -24.527 -33.458 -2.533 1.00 64.32 N ATOM 147 CA HIS A 10 -23.137 -33.770 -2.094 1.00 32.51 C ATOM 148 C HIS A 10 -22.380 -32.485 -1.680 1.00 31.23 C ATOM 149 O HIS A 10 -22.627 -31.403 -2.218 1.00 31.31 O ATOM 150 CB HIS A 10 -22.361 -34.520 -3.212 1.00 24.10 C ATOM 151 CG HIS A 10 -22.893 -35.898 -3.519 1.00 51.21 C ATOM 152 ND1 HIS A 10 -23.387 -36.261 -4.755 1.00 20.31 N ATOM 153 CD2 HIS A 10 -23.016 -37.001 -2.735 1.00 62.42 C ATOM 154 CE1 HIS A 10 -23.782 -37.517 -4.723 1.00 33.35 C ATOM 155 NE2 HIS A 10 -23.576 -37.989 -3.511 1.00 44.51 N ATOM 0 H HIS A 10 -24.587 -32.654 -3.158 1.00 64.32 H new ATOM 0 HA HIS A 10 -23.202 -34.421 -1.222 1.00 32.51 H new ATOM 0 HB2 HIS A 10 -22.389 -33.921 -4.122 1.00 24.10 H new ATOM 0 HB3 HIS A 10 -21.315 -34.604 -2.918 1.00 24.10 H new ATOM 0 HD2 HIS A 10 -22.728 -37.086 -1.698 1.00 62.42 H new ATOM 0 HE1 HIS A 10 -24.204 -38.067 -5.551 1.00 33.35 H new ATOM 0 HE2 HIS A 10 -23.796 -38.935 -3.198 1.00 44.51 H new ATOM 164 N MET A 11 -21.439 -32.640 -0.728 1.00 75.44 N ATOM 165 CA MET A 11 -20.709 -31.513 -0.099 1.00 1.21 C ATOM 166 C MET A 11 -19.433 -31.141 -0.903 1.00 71.34 C ATOM 167 O MET A 11 -18.475 -31.923 -0.958 1.00 34.52 O ATOM 168 CB MET A 11 -20.325 -31.897 1.358 1.00 11.34 C ATOM 169 CG MET A 11 -21.497 -32.375 2.225 1.00 13.41 C ATOM 170 SD MET A 11 -22.809 -31.143 2.366 1.00 1.14 S ATOM 171 CE MET A 11 -24.015 -31.990 3.388 1.00 53.33 C ATOM 0 H MET A 11 -21.160 -33.553 -0.370 1.00 75.44 H new ATOM 0 HA MET A 11 -21.363 -30.641 -0.094 1.00 1.21 H new ATOM 0 HB2 MET A 11 -19.571 -32.683 1.325 1.00 11.34 H new ATOM 0 HB3 MET A 11 -19.865 -31.033 1.838 1.00 11.34 H new ATOM 0 HG2 MET A 11 -21.908 -33.290 1.800 1.00 13.41 H new ATOM 0 HG3 MET A 11 -21.129 -32.623 3.221 1.00 13.41 H new ATOM 0 HE1 MET A 11 -24.874 -31.340 3.551 1.00 53.33 H new ATOM 0 HE2 MET A 11 -24.340 -32.902 2.887 1.00 53.33 H new ATOM 0 HE3 MET A 11 -23.565 -32.244 4.348 1.00 53.33 H new ATOM 181 N ILE A 12 -19.429 -29.949 -1.534 1.00 50.21 N ATOM 182 CA ILE A 12 -18.257 -29.436 -2.284 1.00 11.40 C ATOM 183 C ILE A 12 -17.447 -28.460 -1.389 1.00 41.30 C ATOM 184 O ILE A 12 -17.886 -27.330 -1.130 1.00 55.22 O ATOM 185 CB ILE A 12 -18.692 -28.709 -3.621 1.00 40.23 C ATOM 186 CG1 ILE A 12 -19.604 -29.645 -4.487 1.00 75.24 C ATOM 187 CG2 ILE A 12 -17.449 -28.234 -4.431 1.00 20.40 C ATOM 188 CD1 ILE A 12 -20.147 -29.015 -5.766 1.00 14.33 C ATOM 0 H ILE A 12 -20.230 -29.317 -1.540 1.00 50.21 H new ATOM 0 HA ILE A 12 -17.634 -30.288 -2.557 1.00 11.40 H new ATOM 0 HB ILE A 12 -19.270 -27.825 -3.353 1.00 40.23 H new ATOM 0 HG12 ILE A 12 -19.036 -30.536 -4.752 1.00 75.24 H new ATOM 0 HG13 ILE A 12 -20.445 -29.973 -3.876 1.00 75.24 H new ATOM 0 HG21 ILE A 12 -17.778 -27.738 -5.344 1.00 20.40 H new ATOM 0 HG22 ILE A 12 -16.867 -27.536 -3.829 1.00 20.40 H new ATOM 0 HG23 ILE A 12 -16.831 -29.095 -4.688 1.00 20.40 H new ATOM 0 HD11 ILE A 12 -20.765 -29.740 -6.295 1.00 14.33 H new ATOM 0 HD12 ILE A 12 -20.748 -28.141 -5.514 1.00 14.33 H new ATOM 0 HD13 ILE A 12 -19.316 -28.713 -6.404 1.00 14.33 H new ATOM 200 N LYS A 13 -16.285 -28.922 -0.893 1.00 15.41 N ATOM 201 CA LYS A 13 -15.389 -28.106 -0.044 1.00 2.34 C ATOM 202 C LYS A 13 -14.475 -27.196 -0.917 1.00 12.33 C ATOM 203 O LYS A 13 -13.518 -27.675 -1.540 1.00 14.52 O ATOM 204 CB LYS A 13 -14.526 -29.029 0.870 1.00 44.35 C ATOM 205 CG LYS A 13 -13.542 -28.274 1.794 1.00 2.24 C ATOM 206 CD LYS A 13 -12.583 -29.199 2.573 1.00 24.22 C ATOM 207 CE LYS A 13 -11.569 -28.400 3.419 1.00 64.23 C ATOM 208 NZ LYS A 13 -10.578 -29.275 4.093 1.00 72.54 N ATOM 0 H LYS A 13 -15.939 -29.866 -1.066 1.00 15.41 H new ATOM 0 HA LYS A 13 -16.004 -27.463 0.586 1.00 2.34 H new ATOM 0 HB2 LYS A 13 -15.191 -29.635 1.485 1.00 44.35 H new ATOM 0 HB3 LYS A 13 -13.960 -29.716 0.241 1.00 44.35 H new ATOM 0 HG2 LYS A 13 -12.954 -27.580 1.193 1.00 2.24 H new ATOM 0 HG3 LYS A 13 -14.112 -27.676 2.505 1.00 2.24 H new ATOM 0 HD2 LYS A 13 -13.161 -29.855 3.224 1.00 24.22 H new ATOM 0 HD3 LYS A 13 -12.046 -29.838 1.872 1.00 24.22 H new ATOM 0 HE2 LYS A 13 -11.046 -27.690 2.779 1.00 64.23 H new ATOM 0 HE3 LYS A 13 -12.105 -27.818 4.169 1.00 64.23 H new ATOM 0 HZ1 LYS A 13 -9.920 -28.691 4.648 1.00 72.54 H new ATOM 0 HZ2 LYS A 13 -11.072 -29.936 4.726 1.00 72.54 H new ATOM 0 HZ3 LYS A 13 -10.046 -29.812 3.378 1.00 72.54 H new ATOM 222 N ARG A 14 -14.805 -25.885 -0.971 1.00 0.30 N ATOM 223 CA ARG A 14 -14.002 -24.851 -1.685 1.00 53.15 C ATOM 224 C ARG A 14 -13.977 -23.530 -0.884 1.00 3.24 C ATOM 225 O ARG A 14 -15.002 -23.108 -0.328 1.00 44.52 O ATOM 226 CB ARG A 14 -14.567 -24.573 -3.110 1.00 41.24 C ATOM 227 CG ARG A 14 -14.314 -25.697 -4.135 1.00 11.15 C ATOM 228 CD ARG A 14 -14.866 -25.378 -5.536 1.00 14.55 C ATOM 229 NE ARG A 14 -14.514 -26.432 -6.509 1.00 25.20 N ATOM 230 CZ ARG A 14 -15.083 -26.616 -7.678 1.00 63.44 C ATOM 231 NH1 ARG A 14 -16.070 -25.877 -8.075 1.00 3.32 N ATOM 232 NH2 ARG A 14 -14.652 -27.553 -8.448 1.00 4.11 N ATOM 0 H ARG A 14 -15.638 -25.507 -0.520 1.00 0.30 H new ATOM 0 HA ARG A 14 -12.988 -25.240 -1.780 1.00 53.15 H new ATOM 0 HB2 ARG A 14 -15.641 -24.405 -3.033 1.00 41.24 H new ATOM 0 HB3 ARG A 14 -14.126 -23.650 -3.487 1.00 41.24 H new ATOM 0 HG2 ARG A 14 -13.242 -25.879 -4.207 1.00 11.15 H new ATOM 0 HG3 ARG A 14 -14.770 -26.619 -3.773 1.00 11.15 H new ATOM 0 HD2 ARG A 14 -15.950 -25.274 -5.486 1.00 14.55 H new ATOM 0 HD3 ARG A 14 -14.470 -24.421 -5.875 1.00 14.55 H new ATOM 0 HE ARG A 14 -13.764 -27.073 -6.250 1.00 25.20 H new ATOM 0 HH11 ARG A 14 -16.423 -25.131 -7.475 1.00 3.32 H new ATOM 0 HH12 ARG A 14 -16.495 -26.041 -8.988 1.00 3.32 H new ATOM 0 HH21 ARG A 14 -13.876 -28.143 -8.148 1.00 4.11 H new ATOM 0 HH22 ARG A 14 -15.086 -27.705 -9.358 1.00 4.11 H new ATOM 246 N THR A 15 -12.797 -22.895 -0.835 1.00 61.32 N ATOM 247 CA THR A 15 -12.623 -21.560 -0.232 1.00 0.52 C ATOM 248 C THR A 15 -13.185 -20.466 -1.173 1.00 42.25 C ATOM 249 O THR A 15 -12.785 -20.376 -2.343 1.00 64.52 O ATOM 250 CB THR A 15 -11.111 -21.276 0.073 1.00 75.12 C ATOM 251 OG1 THR A 15 -10.325 -21.414 -1.129 1.00 72.53 O ATOM 252 CG2 THR A 15 -10.555 -22.224 1.154 1.00 2.14 C ATOM 0 H THR A 15 -11.935 -23.290 -1.211 1.00 61.32 H new ATOM 0 HA THR A 15 -13.175 -21.540 0.708 1.00 0.52 H new ATOM 0 HB THR A 15 -11.044 -20.254 0.447 1.00 75.12 H new ATOM 0 HG1 THR A 15 -10.833 -21.070 -1.893 1.00 72.53 H new ATOM 0 HG21 THR A 15 -9.505 -21.993 1.335 1.00 2.14 H new ATOM 0 HG22 THR A 15 -11.120 -22.094 2.077 1.00 2.14 H new ATOM 0 HG23 THR A 15 -10.647 -23.256 0.815 1.00 2.14 H new ATOM 260 N ASN A 16 -14.129 -19.651 -0.665 1.00 4.41 N ATOM 261 CA ASN A 16 -14.762 -18.563 -1.446 1.00 45.21 C ATOM 262 C ASN A 16 -13.871 -17.295 -1.451 1.00 5.53 C ATOM 263 O ASN A 16 -14.165 -16.300 -0.776 1.00 55.11 O ATOM 264 CB ASN A 16 -16.183 -18.255 -0.905 1.00 53.23 C ATOM 265 CG ASN A 16 -17.131 -19.448 -1.027 1.00 40.34 C ATOM 266 OD1 ASN A 16 -17.805 -19.617 -2.041 1.00 63.44 O ATOM 267 ND2 ASN A 16 -17.193 -20.284 -0.005 1.00 75.22 N ATOM 0 H ASN A 16 -14.475 -19.725 0.292 1.00 4.41 H new ATOM 0 HA ASN A 16 -14.864 -18.897 -2.479 1.00 45.21 H new ATOM 0 HB2 ASN A 16 -16.113 -17.957 0.141 1.00 53.23 H new ATOM 0 HB3 ASN A 16 -16.599 -17.408 -1.450 1.00 53.23 H new ATOM 0 HD21 ASN A 16 -17.812 -21.094 -0.045 1.00 75.22 H new ATOM 0 HD22 ASN A 16 -16.622 -20.119 0.824 1.00 75.22 H new ATOM 274 N GLU A 17 -12.745 -17.378 -2.186 1.00 54.22 N ATOM 275 CA GLU A 17 -11.822 -16.243 -2.397 1.00 4.30 C ATOM 276 C GLU A 17 -11.182 -16.295 -3.816 1.00 10.51 C ATOM 277 O GLU A 17 -10.053 -16.782 -3.985 1.00 62.43 O ATOM 278 CB GLU A 17 -10.708 -16.213 -1.302 1.00 3.42 C ATOM 279 CG GLU A 17 -9.801 -14.957 -1.346 1.00 73.33 C ATOM 280 CD GLU A 17 -8.535 -15.090 -0.484 1.00 10.41 C ATOM 281 OE1 GLU A 17 -8.598 -14.817 0.734 1.00 22.21 O ATOM 282 OE2 GLU A 17 -7.471 -15.472 -1.024 1.00 54.13 O ATOM 0 H GLU A 17 -12.448 -18.236 -2.652 1.00 54.22 H new ATOM 0 HA GLU A 17 -12.407 -15.327 -2.318 1.00 4.30 H new ATOM 0 HB2 GLU A 17 -11.178 -16.272 -0.321 1.00 3.42 H new ATOM 0 HB3 GLU A 17 -10.085 -17.100 -1.411 1.00 3.42 H new ATOM 0 HG2 GLU A 17 -9.510 -14.763 -2.379 1.00 73.33 H new ATOM 0 HG3 GLU A 17 -10.373 -14.093 -1.008 1.00 73.33 H new ATOM 289 N PRO A 18 -11.937 -15.892 -4.887 1.00 33.44 N ATOM 290 CA PRO A 18 -11.323 -15.460 -6.171 1.00 72.22 C ATOM 291 C PRO A 18 -10.498 -14.154 -6.010 1.00 32.34 C ATOM 292 O PRO A 18 -10.613 -13.453 -4.996 1.00 34.13 O ATOM 293 CB PRO A 18 -12.551 -15.241 -7.105 1.00 54.23 C ATOM 294 CG PRO A 18 -13.650 -16.041 -6.470 1.00 75.14 C ATOM 295 CD PRO A 18 -13.415 -15.925 -4.983 1.00 31.15 C ATOM 0 HA PRO A 18 -10.614 -16.191 -6.560 1.00 72.22 H new ATOM 0 HB2 PRO A 18 -12.816 -14.186 -7.173 1.00 54.23 H new ATOM 0 HB3 PRO A 18 -12.345 -15.584 -8.119 1.00 54.23 H new ATOM 0 HG2 PRO A 18 -14.630 -15.652 -6.745 1.00 75.14 H new ATOM 0 HG3 PRO A 18 -13.618 -17.081 -6.794 1.00 75.14 H new ATOM 0 HD2 PRO A 18 -13.868 -15.023 -4.571 1.00 31.15 H new ATOM 0 HD3 PRO A 18 -13.837 -16.770 -4.439 1.00 31.15 H new ATOM 303 N LEU A 19 -9.691 -13.820 -7.028 1.00 24.34 N ATOM 304 CA LEU A 19 -8.933 -12.545 -7.072 1.00 24.15 C ATOM 305 C LEU A 19 -9.875 -11.337 -7.187 1.00 32.21 C ATOM 306 O LEU A 19 -9.528 -10.237 -6.778 1.00 24.33 O ATOM 307 CB LEU A 19 -7.910 -12.545 -8.244 1.00 13.05 C ATOM 308 CG LEU A 19 -6.602 -13.352 -8.011 1.00 52.25 C ATOM 309 CD1 LEU A 19 -5.881 -12.861 -6.747 1.00 63.22 C ATOM 310 CD2 LEU A 19 -6.845 -14.868 -7.948 1.00 1.31 C ATOM 0 H LEU A 19 -9.541 -14.416 -7.842 1.00 24.34 H new ATOM 0 HA LEU A 19 -8.385 -12.459 -6.134 1.00 24.15 H new ATOM 0 HB2 LEU A 19 -8.404 -12.942 -9.131 1.00 13.05 H new ATOM 0 HB3 LEU A 19 -7.641 -11.512 -8.464 1.00 13.05 H new ATOM 0 HG LEU A 19 -5.961 -13.173 -8.874 1.00 52.25 H new ATOM 0 HD11 LEU A 19 -4.968 -13.438 -6.601 1.00 63.22 H new ATOM 0 HD12 LEU A 19 -5.629 -11.806 -6.858 1.00 63.22 H new ATOM 0 HD13 LEU A 19 -6.533 -12.989 -5.883 1.00 63.22 H new ATOM 0 HD21 LEU A 19 -5.898 -15.382 -7.784 1.00 1.31 H new ATOM 0 HD22 LEU A 19 -7.527 -15.093 -7.128 1.00 1.31 H new ATOM 0 HD23 LEU A 19 -7.283 -15.206 -8.887 1.00 1.31 H new ATOM 322 N ASP A 20 -11.057 -11.572 -7.776 1.00 43.43 N ATOM 323 CA ASP A 20 -12.158 -10.587 -7.805 1.00 5.41 C ATOM 324 C ASP A 20 -12.535 -10.125 -6.366 1.00 21.25 C ATOM 325 O ASP A 20 -12.715 -8.931 -6.116 1.00 54.54 O ATOM 326 CB ASP A 20 -13.375 -11.213 -8.534 1.00 3.31 C ATOM 327 CG ASP A 20 -14.557 -10.241 -8.684 1.00 13.35 C ATOM 328 OD1 ASP A 20 -14.487 -9.342 -9.546 1.00 14.14 O ATOM 329 OD2 ASP A 20 -15.562 -10.380 -7.956 1.00 31.41 O ATOM 0 H ASP A 20 -11.280 -12.449 -8.247 1.00 43.43 H new ATOM 0 HA ASP A 20 -11.835 -9.699 -8.348 1.00 5.41 H new ATOM 0 HB2 ASP A 20 -13.064 -11.551 -9.522 1.00 3.31 H new ATOM 0 HB3 ASP A 20 -13.705 -12.095 -7.985 1.00 3.31 H new ATOM 334 N LYS A 21 -12.628 -11.095 -5.434 1.00 41.44 N ATOM 335 CA LYS A 21 -12.903 -10.816 -4.007 1.00 12.50 C ATOM 336 C LYS A 21 -11.660 -10.250 -3.268 1.00 72.14 C ATOM 337 O LYS A 21 -11.774 -9.250 -2.557 1.00 54.31 O ATOM 338 CB LYS A 21 -13.424 -12.088 -3.285 1.00 43.31 C ATOM 339 CG LYS A 21 -14.820 -12.543 -3.758 1.00 10.43 C ATOM 340 CD LYS A 21 -15.409 -13.688 -2.899 1.00 22.11 C ATOM 341 CE LYS A 21 -15.688 -13.273 -1.442 1.00 63.34 C ATOM 342 NZ LYS A 21 -16.698 -12.187 -1.353 1.00 15.12 N ATOM 0 H LYS A 21 -12.516 -12.087 -5.645 1.00 41.44 H new ATOM 0 HA LYS A 21 -13.678 -10.050 -3.979 1.00 12.50 H new ATOM 0 HB2 LYS A 21 -12.714 -12.900 -3.442 1.00 43.31 H new ATOM 0 HB3 LYS A 21 -13.458 -11.898 -2.212 1.00 43.31 H new ATOM 0 HG2 LYS A 21 -15.500 -11.692 -3.734 1.00 10.43 H new ATOM 0 HG3 LYS A 21 -14.756 -12.871 -4.796 1.00 10.43 H new ATOM 0 HD2 LYS A 21 -16.336 -14.035 -3.355 1.00 22.11 H new ATOM 0 HD3 LYS A 21 -14.717 -14.530 -2.904 1.00 22.11 H new ATOM 0 HE2 LYS A 21 -16.037 -14.139 -0.880 1.00 63.34 H new ATOM 0 HE3 LYS A 21 -14.760 -12.943 -0.976 1.00 63.34 H new ATOM 0 HZ1 LYS A 21 -16.955 -12.033 -0.357 1.00 15.12 H new ATOM 0 HZ2 LYS A 21 -16.301 -11.311 -1.748 1.00 15.12 H new ATOM 0 HZ3 LYS A 21 -17.546 -12.457 -1.891 1.00 15.12 H new ATOM 356 N LYS A 22 -10.474 -10.884 -3.447 1.00 11.11 N ATOM 357 CA LYS A 22 -9.260 -10.521 -2.668 1.00 42.34 C ATOM 358 C LYS A 22 -8.703 -9.126 -3.048 1.00 24.03 C ATOM 359 O LYS A 22 -8.392 -8.334 -2.159 1.00 52.22 O ATOM 360 CB LYS A 22 -8.142 -11.589 -2.791 1.00 21.24 C ATOM 361 CG LYS A 22 -6.915 -11.289 -1.883 1.00 34.32 C ATOM 362 CD LYS A 22 -5.879 -12.430 -1.835 1.00 32.42 C ATOM 363 CE LYS A 22 -5.135 -12.637 -3.161 1.00 72.05 C ATOM 364 NZ LYS A 22 -4.295 -13.859 -3.129 1.00 25.54 N ATOM 0 H LYS A 22 -10.331 -11.641 -4.116 1.00 11.11 H new ATOM 0 HA LYS A 22 -9.584 -10.481 -1.628 1.00 42.34 H new ATOM 0 HB2 LYS A 22 -8.550 -12.566 -2.531 1.00 21.24 H new ATOM 0 HB3 LYS A 22 -7.814 -11.646 -3.829 1.00 21.24 H new ATOM 0 HG2 LYS A 22 -6.426 -10.382 -2.238 1.00 34.32 H new ATOM 0 HG3 LYS A 22 -7.265 -11.087 -0.871 1.00 34.32 H new ATOM 0 HD2 LYS A 22 -5.153 -12.219 -1.050 1.00 32.42 H new ATOM 0 HD3 LYS A 22 -6.383 -13.357 -1.562 1.00 32.42 H new ATOM 0 HE2 LYS A 22 -5.855 -12.711 -3.976 1.00 72.05 H new ATOM 0 HE3 LYS A 22 -4.509 -11.769 -3.367 1.00 72.05 H new ATOM 0 HZ1 LYS A 22 -3.807 -13.968 -4.041 1.00 25.54 H new ATOM 0 HZ2 LYS A 22 -3.592 -13.777 -2.367 1.00 25.54 H new ATOM 0 HZ3 LYS A 22 -4.897 -14.690 -2.957 1.00 25.54 H new ATOM 378 N ARG A 23 -8.563 -8.838 -4.366 1.00 33.33 N ATOM 379 CA ARG A 23 -8.150 -7.482 -4.846 1.00 42.12 C ATOM 380 C ARG A 23 -9.073 -6.378 -4.290 1.00 20.41 C ATOM 381 O ARG A 23 -8.593 -5.420 -3.691 1.00 13.44 O ATOM 382 CB ARG A 23 -8.100 -7.411 -6.401 1.00 12.12 C ATOM 383 CG ARG A 23 -6.833 -8.037 -7.017 1.00 1.24 C ATOM 384 CD ARG A 23 -6.909 -8.205 -8.548 1.00 14.00 C ATOM 385 NE ARG A 23 -5.685 -8.841 -9.093 1.00 73.03 N ATOM 386 CZ ARG A 23 -5.654 -9.836 -9.960 1.00 4.21 C ATOM 387 NH1 ARG A 23 -6.745 -10.317 -10.479 1.00 54.00 N ATOM 388 NH2 ARG A 23 -4.514 -10.333 -10.321 1.00 25.43 N ATOM 0 H ARG A 23 -8.726 -9.513 -5.113 1.00 33.33 H new ATOM 0 HA ARG A 23 -7.143 -7.309 -4.467 1.00 42.12 H new ATOM 0 HB2 ARG A 23 -8.976 -7.917 -6.806 1.00 12.12 H new ATOM 0 HB3 ARG A 23 -8.164 -6.367 -6.709 1.00 12.12 H new ATOM 0 HG2 ARG A 23 -5.973 -7.414 -6.771 1.00 1.24 H new ATOM 0 HG3 ARG A 23 -6.661 -9.012 -6.561 1.00 1.24 H new ATOM 0 HD2 ARG A 23 -7.778 -8.810 -8.805 1.00 14.00 H new ATOM 0 HD3 ARG A 23 -7.051 -7.230 -9.014 1.00 14.00 H new ATOM 0 HE ARG A 23 -4.788 -8.478 -8.770 1.00 73.03 H new ATOM 0 HH11 ARG A 23 -7.650 -9.925 -10.218 1.00 54.00 H new ATOM 0 HH12 ARG A 23 -6.696 -11.086 -11.147 1.00 54.00 H new ATOM 0 HH21 ARG A 23 -3.648 -9.956 -9.936 1.00 25.43 H new ATOM 0 HH22 ARG A 23 -4.482 -11.102 -10.990 1.00 25.43 H new ATOM 402 N ALA A 24 -10.400 -6.562 -4.450 1.00 43.41 N ATOM 403 CA ALA A 24 -11.415 -5.606 -3.941 1.00 44.01 C ATOM 404 C ALA A 24 -11.310 -5.411 -2.404 1.00 64.23 C ATOM 405 O ALA A 24 -11.458 -4.291 -1.895 1.00 60.13 O ATOM 406 CB ALA A 24 -12.825 -6.078 -4.328 1.00 51.13 C ATOM 0 H ALA A 24 -10.799 -7.368 -4.930 1.00 43.41 H new ATOM 0 HA ALA A 24 -11.220 -4.639 -4.404 1.00 44.01 H new ATOM 0 HB1 ALA A 24 -13.562 -5.370 -3.950 1.00 51.13 H new ATOM 0 HB2 ALA A 24 -12.903 -6.138 -5.414 1.00 51.13 H new ATOM 0 HB3 ALA A 24 -13.011 -7.061 -3.896 1.00 51.13 H new ATOM 412 N ARG A 25 -11.032 -6.519 -1.692 1.00 51.10 N ATOM 413 CA ARG A 25 -10.845 -6.525 -0.224 1.00 43.30 C ATOM 414 C ARG A 25 -9.596 -5.714 0.203 1.00 4.41 C ATOM 415 O ARG A 25 -9.644 -4.974 1.179 1.00 21.32 O ATOM 416 CB ARG A 25 -10.739 -7.989 0.285 1.00 31.42 C ATOM 417 CG ARG A 25 -10.648 -8.134 1.823 1.00 10.43 C ATOM 418 CD ARG A 25 -10.567 -9.603 2.281 1.00 54.13 C ATOM 419 NE ARG A 25 -9.326 -10.269 1.836 1.00 33.42 N ATOM 420 CZ ARG A 25 -9.214 -11.536 1.489 1.00 70.20 C ATOM 421 NH1 ARG A 25 -10.251 -12.312 1.376 1.00 41.40 N ATOM 422 NH2 ARG A 25 -8.043 -12.013 1.235 1.00 25.30 N ATOM 0 H ARG A 25 -10.930 -7.440 -2.118 1.00 51.10 H new ATOM 0 HA ARG A 25 -11.713 -6.044 0.227 1.00 43.30 H new ATOM 0 HB2 ARG A 25 -11.607 -8.546 -0.068 1.00 31.42 H new ATOM 0 HB3 ARG A 25 -9.860 -8.452 -0.163 1.00 31.42 H new ATOM 0 HG2 ARG A 25 -9.770 -7.597 2.183 1.00 10.43 H new ATOM 0 HG3 ARG A 25 -11.519 -7.663 2.280 1.00 10.43 H new ATOM 0 HD2 ARG A 25 -10.627 -9.645 3.369 1.00 54.13 H new ATOM 0 HD3 ARG A 25 -11.427 -10.149 1.893 1.00 54.13 H new ATOM 0 HE ARG A 25 -8.481 -9.699 1.793 1.00 33.42 H new ATOM 0 HH11 ARG A 25 -11.185 -11.945 1.558 1.00 41.40 H new ATOM 0 HH12 ARG A 25 -10.131 -13.288 1.106 1.00 41.40 H new ATOM 0 HH21 ARG A 25 -7.222 -11.412 1.304 1.00 25.30 H new ATOM 0 HH22 ARG A 25 -7.938 -12.991 0.965 1.00 25.30 H new ATOM 436 N LEU A 26 -8.485 -5.850 -0.548 1.00 45.44 N ATOM 437 CA LEU A 26 -7.214 -5.146 -0.239 1.00 12.15 C ATOM 438 C LEU A 26 -7.312 -3.622 -0.516 1.00 10.03 C ATOM 439 O LEU A 26 -6.788 -2.819 0.254 1.00 3.03 O ATOM 440 CB LEU A 26 -6.042 -5.754 -1.043 1.00 72.20 C ATOM 441 CG LEU A 26 -5.708 -7.254 -0.772 1.00 21.11 C ATOM 442 CD1 LEU A 26 -4.617 -7.760 -1.737 1.00 43.21 C ATOM 443 CD2 LEU A 26 -5.295 -7.457 0.698 1.00 75.02 C ATOM 0 H LEU A 26 -8.438 -6.442 -1.377 1.00 45.44 H new ATOM 0 HA LEU A 26 -7.025 -5.281 0.826 1.00 12.15 H new ATOM 0 HB2 LEU A 26 -6.263 -5.641 -2.104 1.00 72.20 H new ATOM 0 HB3 LEU A 26 -5.148 -5.164 -0.839 1.00 72.20 H new ATOM 0 HG LEU A 26 -6.606 -7.845 -0.954 1.00 21.11 H new ATOM 0 HD11 LEU A 26 -4.403 -8.808 -1.527 1.00 43.21 H new ATOM 0 HD12 LEU A 26 -4.966 -7.660 -2.765 1.00 43.21 H new ATOM 0 HD13 LEU A 26 -3.710 -7.170 -1.602 1.00 43.21 H new ATOM 0 HD21 LEU A 26 -5.066 -8.509 0.870 1.00 75.02 H new ATOM 0 HD22 LEU A 26 -4.414 -6.853 0.915 1.00 75.02 H new ATOM 0 HD23 LEU A 26 -6.113 -7.153 1.351 1.00 75.02 H new ATOM 455 N ILE A 27 -7.978 -3.247 -1.630 1.00 51.45 N ATOM 456 CA ILE A 27 -8.287 -1.825 -1.965 1.00 31.45 C ATOM 457 C ILE A 27 -9.159 -1.165 -0.848 1.00 65.41 C ATOM 458 O ILE A 27 -9.049 0.028 -0.561 1.00 61.11 O ATOM 459 CB ILE A 27 -9.010 -1.724 -3.378 1.00 2.24 C ATOM 460 CG1 ILE A 27 -8.147 -2.423 -4.486 1.00 55.13 C ATOM 461 CG2 ILE A 27 -9.311 -0.248 -3.761 1.00 11.11 C ATOM 462 CD1 ILE A 27 -8.793 -2.571 -5.862 1.00 62.11 C ATOM 0 H ILE A 27 -8.318 -3.912 -2.324 1.00 51.45 H new ATOM 0 HA ILE A 27 -7.345 -1.279 -2.024 1.00 31.45 H new ATOM 0 HB ILE A 27 -9.966 -2.243 -3.302 1.00 2.24 H new ATOM 0 HG12 ILE A 27 -7.221 -1.860 -4.603 1.00 55.13 H new ATOM 0 HG13 ILE A 27 -7.873 -3.416 -4.129 1.00 55.13 H new ATOM 0 HG21 ILE A 27 -9.805 -0.218 -4.732 1.00 11.11 H new ATOM 0 HG22 ILE A 27 -9.962 0.198 -3.009 1.00 11.11 H new ATOM 0 HG23 ILE A 27 -8.377 0.313 -3.811 1.00 11.11 H new ATOM 0 HD11 ILE A 27 -8.098 -3.068 -6.539 1.00 62.11 H new ATOM 0 HD12 ILE A 27 -9.703 -3.165 -5.775 1.00 62.11 H new ATOM 0 HD13 ILE A 27 -9.040 -1.585 -6.256 1.00 62.11 H new ATOM 474 N TYR A 28 -10.012 -1.990 -0.232 1.00 4.03 N ATOM 475 CA TYR A 28 -10.859 -1.630 0.931 1.00 1.53 C ATOM 476 C TYR A 28 -10.041 -1.543 2.263 1.00 43.25 C ATOM 477 O TYR A 28 -10.244 -0.618 3.054 1.00 64.41 O ATOM 478 CB TYR A 28 -12.019 -2.681 0.991 1.00 12.34 C ATOM 479 CG TYR A 28 -12.685 -2.938 2.350 1.00 43.12 C ATOM 480 CD1 TYR A 28 -13.725 -2.135 2.824 1.00 34.42 C ATOM 481 CD2 TYR A 28 -12.298 -4.029 3.139 1.00 4.02 C ATOM 482 CE1 TYR A 28 -14.340 -2.407 4.029 1.00 33.42 C ATOM 483 CE2 TYR A 28 -12.917 -4.305 4.336 1.00 11.31 C ATOM 484 CZ TYR A 28 -13.935 -3.497 4.777 1.00 52.24 C ATOM 485 OH TYR A 28 -14.551 -3.779 5.977 1.00 2.21 O ATOM 0 H TYR A 28 -10.143 -2.957 -0.530 1.00 4.03 H new ATOM 0 HA TYR A 28 -11.271 -0.628 0.808 1.00 1.53 H new ATOM 0 HB2 TYR A 28 -12.794 -2.364 0.293 1.00 12.34 H new ATOM 0 HB3 TYR A 28 -11.629 -3.631 0.625 1.00 12.34 H new ATOM 0 HD1 TYR A 28 -14.053 -1.289 2.239 1.00 34.42 H new ATOM 0 HD2 TYR A 28 -11.496 -4.668 2.800 1.00 4.02 H new ATOM 0 HE1 TYR A 28 -15.136 -1.770 4.387 1.00 33.42 H new ATOM 0 HE2 TYR A 28 -12.603 -5.154 4.926 1.00 11.31 H new ATOM 0 HH TYR A 28 -14.146 -4.579 6.373 1.00 2.21 H new ATOM 495 N GLN A 29 -9.111 -2.498 2.487 1.00 35.10 N ATOM 496 CA GLN A 29 -8.282 -2.569 3.733 1.00 5.21 C ATOM 497 C GLN A 29 -7.140 -1.514 3.729 1.00 0.55 C ATOM 498 O GLN A 29 -6.564 -1.201 4.776 1.00 31.21 O ATOM 499 CB GLN A 29 -7.681 -3.999 3.907 1.00 34.53 C ATOM 500 CG GLN A 29 -8.710 -5.122 4.175 1.00 2.32 C ATOM 501 CD GLN A 29 -8.107 -6.541 4.249 1.00 40.53 C ATOM 502 OE1 GLN A 29 -7.055 -6.814 3.491 1.00 1.34 O flip ATOM 503 NE2 GLN A 29 -8.609 -7.404 4.965 1.00 33.42 N flip ATOM 0 H GLN A 29 -8.907 -3.242 1.820 1.00 35.10 H new ATOM 0 HA GLN A 29 -8.940 -2.348 4.573 1.00 5.21 H new ATOM 0 HB2 GLN A 29 -7.120 -4.251 3.007 1.00 34.53 H new ATOM 0 HB3 GLN A 29 -6.969 -3.978 4.732 1.00 34.53 H new ATOM 0 HG2 GLN A 29 -9.223 -4.910 5.113 1.00 2.32 H new ATOM 0 HG3 GLN A 29 -9.463 -5.102 3.388 1.00 2.32 H new ATOM 0 HE21 GLN A 29 -9.419 -7.179 5.543 1.00 33.42 H new ATOM 0 HE22 GLN A 29 -8.216 -8.345 4.981 1.00 33.42 H new ATOM 512 N SER A 30 -6.807 -1.004 2.534 1.00 33.11 N ATOM 513 CA SER A 30 -5.834 0.101 2.364 1.00 4.01 C ATOM 514 C SER A 30 -6.506 1.456 2.615 1.00 21.13 C ATOM 515 O SER A 30 -5.912 2.379 3.191 1.00 35.50 O ATOM 516 CB SER A 30 -5.262 0.079 0.937 1.00 5.30 C ATOM 517 OG SER A 30 -6.247 0.347 -0.046 1.00 32.52 O ATOM 0 H SER A 30 -7.200 -1.341 1.655 1.00 33.11 H new ATOM 0 HA SER A 30 -5.030 -0.037 3.087 1.00 4.01 H new ATOM 0 HB2 SER A 30 -4.464 0.817 0.858 1.00 5.30 H new ATOM 0 HB3 SER A 30 -4.815 -0.896 0.743 1.00 5.30 H new ATOM 0 HG SER A 30 -7.114 0.008 0.259 1.00 32.52 H new ATOM 523 N ARG A 31 -7.763 1.534 2.158 1.00 54.32 N ATOM 524 CA ARG A 31 -8.622 2.717 2.295 1.00 41.43 C ATOM 525 C ARG A 31 -9.187 2.820 3.734 1.00 41.31 C ATOM 526 O ARG A 31 -9.675 3.867 4.141 1.00 74.13 O ATOM 527 CB ARG A 31 -9.749 2.599 1.240 1.00 25.04 C ATOM 528 CG ARG A 31 -10.589 3.865 1.023 1.00 1.33 C ATOM 529 CD ARG A 31 -11.547 3.720 -0.171 1.00 3.31 C ATOM 530 NE ARG A 31 -12.205 4.988 -0.530 1.00 65.32 N ATOM 531 CZ ARG A 31 -12.796 5.235 -1.681 1.00 61.13 C ATOM 532 NH1 ARG A 31 -12.821 4.348 -2.630 1.00 32.51 N ATOM 533 NH2 ARG A 31 -13.350 6.380 -1.872 1.00 72.32 N ATOM 0 H ARG A 31 -8.220 0.761 1.673 1.00 54.32 H new ATOM 0 HA ARG A 31 -8.053 3.631 2.122 1.00 41.43 H new ATOM 0 HB2 ARG A 31 -9.302 2.313 0.288 1.00 25.04 H new ATOM 0 HB3 ARG A 31 -10.415 1.789 1.535 1.00 25.04 H new ATOM 0 HG2 ARG A 31 -11.163 4.079 1.925 1.00 1.33 H new ATOM 0 HG3 ARG A 31 -9.928 4.715 0.857 1.00 1.33 H new ATOM 0 HD2 ARG A 31 -10.993 3.346 -1.032 1.00 3.31 H new ATOM 0 HD3 ARG A 31 -12.307 2.976 0.067 1.00 3.31 H new ATOM 0 HE ARG A 31 -12.203 5.733 0.167 1.00 65.32 H new ATOM 0 HH11 ARG A 31 -12.378 3.440 -2.491 1.00 32.51 H new ATOM 0 HH12 ARG A 31 -13.284 4.560 -3.514 1.00 32.51 H new ATOM 0 HH21 ARG A 31 -13.329 7.086 -1.136 1.00 72.32 H new ATOM 0 HH22 ARG A 31 -13.810 6.582 -2.759 1.00 72.32 H new ATOM 547 N LYS A 32 -9.123 1.713 4.497 1.00 70.14 N ATOM 548 CA LYS A 32 -9.247 1.766 5.963 1.00 21.31 C ATOM 549 C LYS A 32 -7.865 2.110 6.549 1.00 34.33 C ATOM 550 O LYS A 32 -6.934 1.302 6.479 1.00 12.11 O ATOM 551 CB LYS A 32 -9.780 0.425 6.527 1.00 34.31 C ATOM 552 CG LYS A 32 -11.299 0.238 6.326 1.00 21.41 C ATOM 553 CD LYS A 32 -11.858 -0.948 7.137 1.00 3.13 C ATOM 554 CE LYS A 32 -13.395 -0.943 7.224 1.00 34.32 C ATOM 555 NZ LYS A 32 -13.926 0.322 7.796 1.00 4.43 N ATOM 0 H LYS A 32 -8.986 0.774 4.122 1.00 70.14 H new ATOM 0 HA LYS A 32 -9.968 2.533 6.247 1.00 21.31 H new ATOM 0 HB2 LYS A 32 -9.253 -0.399 6.046 1.00 34.31 H new ATOM 0 HB3 LYS A 32 -9.552 0.370 7.592 1.00 34.31 H new ATOM 0 HG2 LYS A 32 -11.817 1.151 6.619 1.00 21.41 H new ATOM 0 HG3 LYS A 32 -11.506 0.080 5.267 1.00 21.41 H new ATOM 0 HD2 LYS A 32 -11.528 -1.881 6.681 1.00 3.13 H new ATOM 0 HD3 LYS A 32 -11.442 -0.921 8.144 1.00 3.13 H new ATOM 0 HE2 LYS A 32 -13.813 -1.092 6.228 1.00 34.32 H new ATOM 0 HE3 LYS A 32 -13.724 -1.782 7.837 1.00 34.32 H new ATOM 0 HZ1 LYS A 32 -14.892 0.165 8.148 1.00 4.43 H new ATOM 0 HZ2 LYS A 32 -13.318 0.630 8.581 1.00 4.43 H new ATOM 0 HZ3 LYS A 32 -13.940 1.057 7.060 1.00 4.43 H new ATOM 569 N ARG A 33 -7.755 3.298 7.158 1.00 33.04 N ATOM 570 CA ARG A 33 -6.450 3.896 7.519 1.00 53.33 C ATOM 571 C ARG A 33 -6.604 4.827 8.750 1.00 44.31 C ATOM 572 O ARG A 33 -7.725 5.095 9.194 1.00 2.32 O ATOM 573 CB ARG A 33 -5.910 4.683 6.279 1.00 62.21 C ATOM 574 CG ARG A 33 -4.375 4.873 6.191 1.00 41.44 C ATOM 575 CD ARG A 33 -3.619 3.582 5.779 1.00 41.44 C ATOM 576 NE ARG A 33 -3.536 2.579 6.863 1.00 44.23 N ATOM 577 CZ ARG A 33 -3.738 1.281 6.735 1.00 32.04 C ATOM 578 NH1 ARG A 33 -4.170 0.758 5.624 1.00 63.43 N ATOM 579 NH2 ARG A 33 -3.551 0.518 7.755 1.00 50.51 N ATOM 0 H ARG A 33 -8.557 3.873 7.415 1.00 33.04 H new ATOM 0 HA ARG A 33 -5.740 3.115 7.790 1.00 53.33 H new ATOM 0 HB2 ARG A 33 -6.241 4.167 5.378 1.00 62.21 H new ATOM 0 HB3 ARG A 33 -6.376 5.668 6.272 1.00 62.21 H new ATOM 0 HG2 ARG A 33 -4.154 5.661 5.471 1.00 41.44 H new ATOM 0 HG3 ARG A 33 -4.002 5.211 7.158 1.00 41.44 H new ATOM 0 HD2 ARG A 33 -4.118 3.136 4.919 1.00 41.44 H new ATOM 0 HD3 ARG A 33 -2.611 3.846 5.460 1.00 41.44 H new ATOM 0 HE ARG A 33 -3.301 2.922 7.795 1.00 44.23 H new ATOM 0 HH11 ARG A 33 -4.363 1.355 4.820 1.00 63.43 H new ATOM 0 HH12 ARG A 33 -4.316 -0.249 5.557 1.00 63.43 H new ATOM 0 HH21 ARG A 33 -3.252 0.919 8.644 1.00 50.51 H new ATOM 0 HH22 ARG A 33 -3.702 -0.487 7.674 1.00 50.51 H new ATOM 593 N GLY A 34 -5.476 5.295 9.307 1.00 73.23 N ATOM 594 CA GLY A 34 -5.505 6.337 10.344 1.00 25.11 C ATOM 595 C GLY A 34 -5.745 7.737 9.763 1.00 32.54 C ATOM 596 O GLY A 34 -6.886 8.214 9.731 1.00 21.04 O ATOM 0 H GLY A 34 -4.541 4.972 9.059 1.00 73.23 H new ATOM 0 HA2 GLY A 34 -6.290 6.107 11.064 1.00 25.11 H new ATOM 0 HA3 GLY A 34 -4.561 6.330 10.888 1.00 25.11 H new ATOM 600 N ILE A 35 -4.666 8.385 9.282 1.00 74.41 N ATOM 601 CA ILE A 35 -4.743 9.736 8.669 1.00 64.12 C ATOM 602 C ILE A 35 -5.276 9.696 7.216 1.00 2.32 C ATOM 603 O ILE A 35 -5.145 8.685 6.512 1.00 25.20 O ATOM 604 CB ILE A 35 -3.353 10.470 8.683 1.00 14.22 C ATOM 605 CG1 ILE A 35 -2.297 9.682 7.835 1.00 24.54 C ATOM 606 CG2 ILE A 35 -2.878 10.688 10.137 1.00 1.11 C ATOM 607 CD1 ILE A 35 -0.953 10.356 7.679 1.00 43.30 C ATOM 0 H ILE A 35 -3.723 7.996 9.304 1.00 74.41 H new ATOM 0 HA ILE A 35 -5.448 10.294 9.285 1.00 64.12 H new ATOM 0 HB ILE A 35 -3.468 11.450 8.221 1.00 14.22 H new ATOM 0 HG12 ILE A 35 -2.143 8.706 8.295 1.00 24.54 H new ATOM 0 HG13 ILE A 35 -2.712 9.505 6.843 1.00 24.54 H new ATOM 0 HG21 ILE A 35 -1.914 11.197 10.132 1.00 1.11 H new ATOM 0 HG22 ILE A 35 -3.608 11.297 10.671 1.00 1.11 H new ATOM 0 HG23 ILE A 35 -2.777 9.724 10.635 1.00 1.11 H new ATOM 0 HD11 ILE A 35 -0.298 9.727 7.076 1.00 43.30 H new ATOM 0 HD12 ILE A 35 -1.084 11.320 7.187 1.00 43.30 H new ATOM 0 HD13 ILE A 35 -0.506 10.508 8.661 1.00 43.30 H new ATOM 619 N LEU A 36 -5.847 10.834 6.784 1.00 44.31 N ATOM 620 CA LEU A 36 -6.428 11.011 5.433 1.00 60.21 C ATOM 621 C LEU A 36 -5.341 11.128 4.335 1.00 12.01 C ATOM 622 O LEU A 36 -5.605 10.834 3.165 1.00 5.41 O ATOM 623 CB LEU A 36 -7.390 12.236 5.401 1.00 52.31 C ATOM 624 CG LEU A 36 -8.736 12.095 6.193 1.00 22.03 C ATOM 625 CD1 LEU A 36 -9.518 10.842 5.748 1.00 51.13 C ATOM 626 CD2 LEU A 36 -8.525 12.122 7.726 1.00 72.00 C ATOM 0 H LEU A 36 -5.921 11.668 7.366 1.00 44.31 H new ATOM 0 HA LEU A 36 -7.004 10.113 5.212 1.00 60.21 H new ATOM 0 HB2 LEU A 36 -6.854 13.100 5.793 1.00 52.31 H new ATOM 0 HB3 LEU A 36 -7.629 12.454 4.360 1.00 52.31 H new ATOM 0 HG LEU A 36 -9.340 12.969 5.949 1.00 22.03 H new ATOM 0 HD11 LEU A 36 -10.446 10.772 6.315 1.00 51.13 H new ATOM 0 HD12 LEU A 36 -9.747 10.915 4.685 1.00 51.13 H new ATOM 0 HD13 LEU A 36 -8.914 9.953 5.929 1.00 51.13 H new ATOM 0 HD21 LEU A 36 -9.487 12.021 8.228 1.00 72.00 H new ATOM 0 HD22 LEU A 36 -7.875 11.297 8.018 1.00 72.00 H new ATOM 0 HD23 LEU A 36 -8.064 13.067 8.013 1.00 72.00 H new ATOM 638 N GLU A 37 -4.125 11.555 4.723 1.00 53.53 N ATOM 639 CA GLU A 37 -2.964 11.631 3.803 1.00 61.33 C ATOM 640 C GLU A 37 -2.568 10.237 3.252 1.00 51.01 C ATOM 641 O GLU A 37 -2.444 10.049 2.035 1.00 53.34 O ATOM 642 CB GLU A 37 -1.760 12.339 4.507 1.00 71.42 C ATOM 643 CG GLU A 37 -1.820 13.884 4.478 1.00 73.34 C ATOM 644 CD GLU A 37 -1.567 14.468 3.071 1.00 73.25 C ATOM 645 OE1 GLU A 37 -2.488 14.450 2.223 1.00 12.44 O ATOM 646 OE2 GLU A 37 -0.435 14.925 2.797 1.00 5.24 O ATOM 0 H GLU A 37 -3.916 11.856 5.675 1.00 53.53 H new ATOM 0 HA GLU A 37 -3.256 12.231 2.941 1.00 61.33 H new ATOM 0 HB2 GLU A 37 -1.717 12.009 5.545 1.00 71.42 H new ATOM 0 HB3 GLU A 37 -0.835 12.015 4.031 1.00 71.42 H new ATOM 0 HG2 GLU A 37 -2.798 14.211 4.832 1.00 73.34 H new ATOM 0 HG3 GLU A 37 -1.080 14.285 5.171 1.00 73.34 H new ATOM 653 N THR A 38 -2.377 9.271 4.155 1.00 34.32 N ATOM 654 CA THR A 38 -2.077 7.866 3.781 1.00 1.32 C ATOM 655 C THR A 38 -3.338 7.132 3.250 1.00 34.21 C ATOM 656 O THR A 38 -3.222 6.183 2.471 1.00 40.12 O ATOM 657 CB THR A 38 -1.450 7.077 4.967 1.00 11.52 C ATOM 658 OG1 THR A 38 -0.437 7.879 5.578 1.00 33.22 O ATOM 659 CG2 THR A 38 -0.821 5.745 4.510 1.00 32.04 C ATOM 0 H THR A 38 -2.423 9.428 5.162 1.00 34.32 H new ATOM 0 HA THR A 38 -1.344 7.906 2.975 1.00 1.32 H new ATOM 0 HB THR A 38 -2.249 6.848 5.673 1.00 11.52 H new ATOM 0 HG1 THR A 38 0.130 7.315 6.144 1.00 33.22 H new ATOM 0 HG21 THR A 38 -0.396 5.229 5.371 1.00 32.04 H new ATOM 0 HG22 THR A 38 -1.587 5.119 4.053 1.00 32.04 H new ATOM 0 HG23 THR A 38 -0.035 5.945 3.782 1.00 32.04 H new ATOM 667 N ASP A 39 -4.531 7.546 3.732 1.00 53.23 N ATOM 668 CA ASP A 39 -5.845 7.003 3.274 1.00 22.10 C ATOM 669 C ASP A 39 -5.991 7.112 1.734 1.00 25.31 C ATOM 670 O ASP A 39 -6.135 6.103 1.047 1.00 73.54 O ATOM 671 CB ASP A 39 -6.995 7.772 3.981 1.00 2.32 C ATOM 672 CG ASP A 39 -8.403 7.188 3.755 1.00 42.21 C ATOM 673 OD1 ASP A 39 -8.987 7.395 2.664 1.00 44.21 O ATOM 674 OD2 ASP A 39 -8.946 6.560 4.686 1.00 70.45 O ATOM 0 H ASP A 39 -4.618 8.266 4.450 1.00 53.23 H new ATOM 0 HA ASP A 39 -5.897 5.947 3.537 1.00 22.10 H new ATOM 0 HB2 ASP A 39 -6.794 7.792 5.052 1.00 2.32 H new ATOM 0 HB3 ASP A 39 -6.987 8.806 3.636 1.00 2.32 H new ATOM 679 N LEU A 40 -5.923 8.357 1.223 1.00 10.50 N ATOM 680 CA LEU A 40 -6.014 8.657 -0.227 1.00 23.20 C ATOM 681 C LEU A 40 -4.804 8.075 -1.010 1.00 52.43 C ATOM 682 O LEU A 40 -4.946 7.654 -2.167 1.00 53.24 O ATOM 683 CB LEU A 40 -6.094 10.195 -0.441 1.00 35.11 C ATOM 684 CG LEU A 40 -7.285 10.933 0.256 1.00 11.14 C ATOM 685 CD1 LEU A 40 -7.200 12.463 0.036 1.00 33.22 C ATOM 686 CD2 LEU A 40 -8.650 10.374 -0.206 1.00 14.14 C ATOM 0 H LEU A 40 -5.803 9.188 1.802 1.00 10.50 H new ATOM 0 HA LEU A 40 -6.918 8.184 -0.612 1.00 23.20 H new ATOM 0 HB2 LEU A 40 -5.163 10.638 -0.087 1.00 35.11 H new ATOM 0 HB3 LEU A 40 -6.152 10.388 -1.512 1.00 35.11 H new ATOM 0 HG LEU A 40 -7.204 10.746 1.327 1.00 11.14 H new ATOM 0 HD11 LEU A 40 -8.040 12.949 0.532 1.00 33.22 H new ATOM 0 HD12 LEU A 40 -6.266 12.839 0.453 1.00 33.22 H new ATOM 0 HD13 LEU A 40 -7.234 12.679 -1.032 1.00 33.22 H new ATOM 0 HD21 LEU A 40 -9.453 10.911 0.299 1.00 14.14 H new ATOM 0 HD22 LEU A 40 -8.750 10.502 -1.284 1.00 14.14 H new ATOM 0 HD23 LEU A 40 -8.711 9.314 0.040 1.00 14.14 H new ATOM 698 N LEU A 41 -3.619 8.066 -0.355 1.00 1.31 N ATOM 699 CA LEU A 41 -2.362 7.519 -0.929 1.00 2.34 C ATOM 700 C LEU A 41 -2.522 6.019 -1.298 1.00 60.41 C ATOM 701 O LEU A 41 -2.375 5.639 -2.457 1.00 25.13 O ATOM 702 CB LEU A 41 -1.191 7.710 0.081 1.00 13.44 C ATOM 703 CG LEU A 41 0.244 7.314 -0.403 1.00 25.01 C ATOM 704 CD1 LEU A 41 0.683 8.142 -1.634 1.00 3.05 C ATOM 705 CD2 LEU A 41 1.271 7.443 0.748 1.00 75.02 C ATOM 0 H LEU A 41 -3.505 8.438 0.588 1.00 1.31 H new ATOM 0 HA LEU A 41 -2.135 8.065 -1.845 1.00 2.34 H new ATOM 0 HB2 LEU A 41 -1.170 8.758 0.379 1.00 13.44 H new ATOM 0 HB3 LEU A 41 -1.418 7.129 0.975 1.00 13.44 H new ATOM 0 HG LEU A 41 0.207 6.269 -0.711 1.00 25.01 H new ATOM 0 HD11 LEU A 41 1.684 7.837 -1.939 1.00 3.05 H new ATOM 0 HD12 LEU A 41 -0.014 7.972 -2.454 1.00 3.05 H new ATOM 0 HD13 LEU A 41 0.689 9.201 -1.377 1.00 3.05 H new ATOM 0 HD21 LEU A 41 2.260 7.162 0.386 1.00 75.02 H new ATOM 0 HD22 LEU A 41 1.293 8.474 1.102 1.00 75.02 H new ATOM 0 HD23 LEU A 41 0.984 6.784 1.567 1.00 75.02 H new ATOM 717 N LEU A 42 -2.875 5.191 -0.303 1.00 64.15 N ATOM 718 CA LEU A 42 -3.045 3.729 -0.489 1.00 53.41 C ATOM 719 C LEU A 42 -4.343 3.364 -1.244 1.00 10.32 C ATOM 720 O LEU A 42 -4.383 2.337 -1.911 1.00 43.31 O ATOM 721 CB LEU A 42 -2.988 2.997 0.877 1.00 3.55 C ATOM 722 CG LEU A 42 -1.603 2.994 1.596 1.00 33.12 C ATOM 723 CD1 LEU A 42 -1.665 2.187 2.909 1.00 23.21 C ATOM 724 CD2 LEU A 42 -0.489 2.461 0.664 1.00 41.40 C ATOM 0 H LEU A 42 -3.051 5.507 0.651 1.00 64.15 H new ATOM 0 HA LEU A 42 -2.216 3.395 -1.112 1.00 53.41 H new ATOM 0 HB2 LEU A 42 -3.719 3.455 1.543 1.00 3.55 H new ATOM 0 HB3 LEU A 42 -3.298 1.963 0.726 1.00 3.55 H new ATOM 0 HG LEU A 42 -1.356 4.025 1.848 1.00 33.12 H new ATOM 0 HD11 LEU A 42 -0.687 2.200 3.391 1.00 23.21 H new ATOM 0 HD12 LEU A 42 -2.404 2.632 3.575 1.00 23.21 H new ATOM 0 HD13 LEU A 42 -1.948 1.157 2.690 1.00 23.21 H new ATOM 0 HD21 LEU A 42 0.464 2.471 1.193 1.00 41.40 H new ATOM 0 HD22 LEU A 42 -0.725 1.441 0.361 1.00 41.40 H new ATOM 0 HD23 LEU A 42 -0.420 3.095 -0.220 1.00 41.40 H new ATOM 736 N SER A 43 -5.395 4.202 -1.126 1.00 11.21 N ATOM 737 CA SER A 43 -6.678 4.002 -1.868 1.00 31.31 C ATOM 738 C SER A 43 -6.473 4.136 -3.394 1.00 1.14 C ATOM 739 O SER A 43 -6.870 3.253 -4.168 1.00 74.31 O ATOM 740 CB SER A 43 -7.743 5.019 -1.396 1.00 34.31 C ATOM 741 OG SER A 43 -8.972 4.883 -2.101 1.00 71.25 O ATOM 0 H SER A 43 -5.390 5.027 -0.526 1.00 11.21 H new ATOM 0 HA SER A 43 -7.025 2.991 -1.654 1.00 31.31 H new ATOM 0 HB2 SER A 43 -7.922 4.885 -0.329 1.00 34.31 H new ATOM 0 HB3 SER A 43 -7.360 6.031 -1.530 1.00 34.31 H new ATOM 0 HG SER A 43 -9.615 5.544 -1.769 1.00 71.25 H new ATOM 747 N GLY A 44 -5.852 5.258 -3.810 1.00 71.14 N ATOM 748 CA GLY A 44 -5.522 5.502 -5.226 1.00 23.31 C ATOM 749 C GLY A 44 -4.480 4.519 -5.776 1.00 65.51 C ATOM 750 O GLY A 44 -4.573 4.075 -6.927 1.00 70.24 O ATOM 0 H GLY A 44 -5.569 6.011 -3.182 1.00 71.14 H new ATOM 0 HA2 GLY A 44 -6.431 5.431 -5.823 1.00 23.31 H new ATOM 0 HA3 GLY A 44 -5.147 6.520 -5.336 1.00 23.31 H new ATOM 754 N PHE A 45 -3.476 4.191 -4.929 1.00 21.52 N ATOM 755 CA PHE A 45 -2.435 3.173 -5.228 1.00 35.14 C ATOM 756 C PHE A 45 -3.069 1.797 -5.490 1.00 73.34 C ATOM 757 O PHE A 45 -2.671 1.075 -6.399 1.00 54.34 O ATOM 758 CB PHE A 45 -1.431 3.080 -4.046 1.00 72.53 C ATOM 759 CG PHE A 45 -0.308 2.060 -4.231 1.00 62.32 C ATOM 760 CD1 PHE A 45 0.809 2.363 -4.996 1.00 54.25 C ATOM 761 CD2 PHE A 45 -0.370 0.796 -3.645 1.00 44.15 C ATOM 762 CE1 PHE A 45 1.817 1.441 -5.172 1.00 14.11 C ATOM 763 CE2 PHE A 45 0.644 -0.124 -3.823 1.00 45.41 C ATOM 764 CZ PHE A 45 1.738 0.200 -4.586 1.00 0.42 C ATOM 0 H PHE A 45 -3.363 4.626 -4.013 1.00 21.52 H new ATOM 0 HA PHE A 45 -1.904 3.480 -6.129 1.00 35.14 H new ATOM 0 HB2 PHE A 45 -0.986 4.063 -3.888 1.00 72.53 H new ATOM 0 HB3 PHE A 45 -1.982 2.830 -3.139 1.00 72.53 H new ATOM 0 HD1 PHE A 45 0.889 3.335 -5.460 1.00 54.25 H new ATOM 0 HD2 PHE A 45 -1.226 0.532 -3.042 1.00 44.15 H new ATOM 0 HE1 PHE A 45 2.676 1.695 -5.775 1.00 14.11 H new ATOM 0 HE2 PHE A 45 0.576 -1.098 -3.362 1.00 45.41 H new ATOM 0 HZ PHE A 45 2.533 -0.517 -4.725 1.00 0.42 H new ATOM 774 N ALA A 46 -4.063 1.464 -4.670 1.00 55.43 N ATOM 775 CA ALA A 46 -4.756 0.177 -4.734 1.00 2.40 C ATOM 776 C ALA A 46 -5.610 0.032 -6.010 1.00 32.44 C ATOM 777 O ALA A 46 -5.516 -0.973 -6.719 1.00 72.14 O ATOM 778 CB ALA A 46 -5.605 -0.002 -3.485 1.00 5.23 C ATOM 0 H ALA A 46 -4.413 2.082 -3.938 1.00 55.43 H new ATOM 0 HA ALA A 46 -4.004 -0.610 -4.778 1.00 2.40 H new ATOM 0 HB1 ALA A 46 -6.122 -0.960 -3.531 1.00 5.23 H new ATOM 0 HB2 ALA A 46 -4.965 0.023 -2.603 1.00 5.23 H new ATOM 0 HB3 ALA A 46 -6.337 0.803 -3.424 1.00 5.23 H new ATOM 784 N ALA A 47 -6.404 1.069 -6.307 1.00 54.44 N ATOM 785 CA ALA A 47 -7.313 1.086 -7.478 1.00 33.44 C ATOM 786 C ALA A 47 -6.539 1.035 -8.822 1.00 70.12 C ATOM 787 O ALA A 47 -7.058 0.553 -9.835 1.00 53.14 O ATOM 788 CB ALA A 47 -8.198 2.338 -7.414 1.00 40.23 C ATOM 0 H ALA A 47 -6.440 1.922 -5.748 1.00 54.44 H new ATOM 0 HA ALA A 47 -7.934 0.191 -7.438 1.00 33.44 H new ATOM 0 HB1 ALA A 47 -8.868 2.354 -8.274 1.00 40.23 H new ATOM 0 HB2 ALA A 47 -8.786 2.322 -6.496 1.00 40.23 H new ATOM 0 HB3 ALA A 47 -7.570 3.229 -7.427 1.00 40.23 H new ATOM 794 N LYS A 48 -5.290 1.534 -8.805 1.00 1.22 N ATOM 795 CA LYS A 48 -4.418 1.599 -9.996 1.00 63.11 C ATOM 796 C LYS A 48 -3.548 0.319 -10.162 1.00 23.02 C ATOM 797 O LYS A 48 -3.573 -0.334 -11.209 1.00 62.43 O ATOM 798 CB LYS A 48 -3.507 2.847 -9.878 1.00 73.21 C ATOM 799 CG LYS A 48 -2.623 3.124 -11.113 1.00 45.24 C ATOM 800 CD LYS A 48 -1.644 4.307 -10.910 1.00 42.40 C ATOM 801 CE LYS A 48 -2.359 5.633 -10.603 1.00 20.34 C ATOM 802 NZ LYS A 48 -3.320 6.020 -11.669 1.00 15.31 N ATOM 0 H LYS A 48 -4.853 1.906 -7.962 1.00 1.22 H new ATOM 0 HA LYS A 48 -5.052 1.668 -10.880 1.00 63.11 H new ATOM 0 HB2 LYS A 48 -4.133 3.720 -9.694 1.00 73.21 H new ATOM 0 HB3 LYS A 48 -2.863 2.728 -9.007 1.00 73.21 H new ATOM 0 HG2 LYS A 48 -2.053 2.226 -11.352 1.00 45.24 H new ATOM 0 HG3 LYS A 48 -3.263 3.333 -11.970 1.00 45.24 H new ATOM 0 HD2 LYS A 48 -0.962 4.071 -10.093 1.00 42.40 H new ATOM 0 HD3 LYS A 48 -1.037 4.427 -11.807 1.00 42.40 H new ATOM 0 HE2 LYS A 48 -2.889 5.546 -9.655 1.00 20.34 H new ATOM 0 HE3 LYS A 48 -1.617 6.423 -10.482 1.00 20.34 H new ATOM 0 HZ1 LYS A 48 -3.713 6.960 -11.458 1.00 15.31 H new ATOM 0 HZ2 LYS A 48 -2.829 6.048 -12.585 1.00 15.31 H new ATOM 0 HZ3 LYS A 48 -4.091 5.324 -11.711 1.00 15.31 H new ATOM 816 N TYR A 49 -2.778 -0.025 -9.111 1.00 12.25 N ATOM 817 CA TYR A 49 -1.759 -1.105 -9.158 1.00 72.34 C ATOM 818 C TYR A 49 -2.377 -2.521 -9.049 1.00 23.44 C ATOM 819 O TYR A 49 -2.014 -3.394 -9.838 1.00 42.51 O ATOM 820 CB TYR A 49 -0.673 -0.882 -8.064 1.00 70.40 C ATOM 821 CG TYR A 49 0.332 0.241 -8.397 1.00 60.24 C ATOM 822 CD1 TYR A 49 -0.064 1.581 -8.454 1.00 54.23 C ATOM 823 CD2 TYR A 49 1.680 -0.042 -8.656 1.00 70.25 C ATOM 824 CE1 TYR A 49 0.839 2.585 -8.752 1.00 62.34 C ATOM 825 CE2 TYR A 49 2.582 0.963 -8.954 1.00 1.44 C ATOM 826 CZ TYR A 49 2.158 2.272 -9.002 1.00 74.11 C ATOM 827 OH TYR A 49 3.054 3.275 -9.300 1.00 73.41 O ATOM 0 H TYR A 49 -2.841 0.435 -8.203 1.00 12.25 H new ATOM 0 HA TYR A 49 -1.286 -1.051 -10.139 1.00 72.34 H new ATOM 0 HB2 TYR A 49 -1.165 -0.647 -7.120 1.00 70.40 H new ATOM 0 HB3 TYR A 49 -0.126 -1.813 -7.915 1.00 70.40 H new ATOM 0 HD1 TYR A 49 -1.095 1.837 -8.261 1.00 54.23 H new ATOM 0 HD2 TYR A 49 2.021 -1.066 -8.622 1.00 70.25 H new ATOM 0 HE1 TYR A 49 0.511 3.613 -8.789 1.00 62.34 H new ATOM 0 HE2 TYR A 49 3.617 0.722 -9.149 1.00 1.44 H new ATOM 0 HH TYR A 49 3.781 2.912 -9.848 1.00 73.41 H new ATOM 837 N LEU A 50 -3.322 -2.744 -8.097 1.00 51.00 N ATOM 838 CA LEU A 50 -3.980 -4.088 -7.912 1.00 73.43 C ATOM 839 C LEU A 50 -4.727 -4.571 -9.168 1.00 42.44 C ATOM 840 O LEU A 50 -4.893 -5.776 -9.377 1.00 20.52 O ATOM 841 CB LEU A 50 -4.939 -4.120 -6.694 1.00 24.10 C ATOM 842 CG LEU A 50 -4.272 -4.357 -5.313 1.00 13.24 C ATOM 843 CD1 LEU A 50 -3.445 -3.162 -4.843 1.00 71.21 C ATOM 844 CD2 LEU A 50 -5.315 -4.758 -4.267 1.00 15.43 C ATOM 0 H LEU A 50 -3.649 -2.028 -7.448 1.00 51.00 H new ATOM 0 HA LEU A 50 -3.156 -4.776 -7.723 1.00 73.43 H new ATOM 0 HB2 LEU A 50 -5.480 -3.175 -6.657 1.00 24.10 H new ATOM 0 HB3 LEU A 50 -5.678 -4.904 -6.858 1.00 24.10 H new ATOM 0 HG LEU A 50 -3.572 -5.184 -5.437 1.00 13.24 H new ATOM 0 HD11 LEU A 50 -3.003 -3.385 -3.872 1.00 71.21 H new ATOM 0 HD12 LEU A 50 -2.653 -2.961 -5.565 1.00 71.21 H new ATOM 0 HD13 LEU A 50 -4.088 -2.286 -4.756 1.00 71.21 H new ATOM 0 HD21 LEU A 50 -4.824 -4.919 -3.307 1.00 15.43 H new ATOM 0 HD22 LEU A 50 -6.055 -3.964 -4.168 1.00 15.43 H new ATOM 0 HD23 LEU A 50 -5.810 -5.677 -4.580 1.00 15.43 H new ATOM 856 N LYS A 51 -5.149 -3.611 -9.988 1.00 12.13 N ATOM 857 CA LYS A 51 -5.806 -3.856 -11.285 1.00 64.31 C ATOM 858 C LYS A 51 -4.938 -4.750 -12.221 1.00 64.11 C ATOM 859 O LYS A 51 -5.462 -5.534 -13.018 1.00 62.32 O ATOM 860 CB LYS A 51 -6.090 -2.478 -11.929 1.00 13.44 C ATOM 861 CG LYS A 51 -6.797 -2.507 -13.299 1.00 31.11 C ATOM 862 CD LYS A 51 -7.107 -1.085 -13.829 1.00 40.33 C ATOM 863 CE LYS A 51 -8.107 -0.317 -12.938 1.00 2.14 C ATOM 864 NZ LYS A 51 -9.455 -0.949 -12.938 1.00 2.42 N ATOM 0 H LYS A 51 -5.045 -2.620 -9.772 1.00 12.13 H new ATOM 0 HA LYS A 51 -6.735 -4.404 -11.129 1.00 64.31 H new ATOM 0 HB2 LYS A 51 -6.701 -1.895 -11.239 1.00 13.44 H new ATOM 0 HB3 LYS A 51 -5.143 -1.949 -12.042 1.00 13.44 H new ATOM 0 HG2 LYS A 51 -6.169 -3.032 -14.019 1.00 31.11 H new ATOM 0 HG3 LYS A 51 -7.726 -3.072 -13.215 1.00 31.11 H new ATOM 0 HD2 LYS A 51 -6.179 -0.518 -13.897 1.00 40.33 H new ATOM 0 HD3 LYS A 51 -7.510 -1.159 -14.839 1.00 40.33 H new ATOM 0 HE2 LYS A 51 -7.726 -0.276 -11.918 1.00 2.14 H new ATOM 0 HE3 LYS A 51 -8.189 0.712 -13.289 1.00 2.14 H new ATOM 0 HZ1 LYS A 51 -10.116 -0.356 -12.397 1.00 2.42 H new ATOM 0 HZ2 LYS A 51 -9.795 -1.042 -13.917 1.00 2.42 H new ATOM 0 HZ3 LYS A 51 -9.397 -1.891 -12.501 1.00 2.42 H new ATOM 878 N LYS A 52 -3.601 -4.621 -12.097 1.00 43.54 N ATOM 879 CA LYS A 52 -2.613 -5.377 -12.913 1.00 72.01 C ATOM 880 C LYS A 52 -1.673 -6.261 -12.037 1.00 73.33 C ATOM 881 O LYS A 52 -0.902 -7.065 -12.574 1.00 11.11 O ATOM 882 CB LYS A 52 -1.771 -4.364 -13.742 1.00 53.54 C ATOM 883 CG LYS A 52 -2.619 -3.362 -14.569 1.00 34.14 C ATOM 884 CD LYS A 52 -1.773 -2.281 -15.282 1.00 1.21 C ATOM 885 CE LYS A 52 -0.916 -1.445 -14.311 1.00 54.22 C ATOM 886 NZ LYS A 52 -1.722 -0.794 -13.242 1.00 35.42 N ATOM 0 H LYS A 52 -3.168 -3.987 -11.425 1.00 43.54 H new ATOM 0 HA LYS A 52 -3.160 -6.052 -13.571 1.00 72.01 H new ATOM 0 HB2 LYS A 52 -1.126 -3.805 -13.065 1.00 53.54 H new ATOM 0 HB3 LYS A 52 -1.120 -4.917 -14.419 1.00 53.54 H new ATOM 0 HG2 LYS A 52 -3.194 -3.912 -15.314 1.00 34.14 H new ATOM 0 HG3 LYS A 52 -3.337 -2.874 -13.909 1.00 34.14 H new ATOM 0 HD2 LYS A 52 -1.121 -2.761 -16.011 1.00 1.21 H new ATOM 0 HD3 LYS A 52 -2.436 -1.617 -15.836 1.00 1.21 H new ATOM 0 HE2 LYS A 52 -0.164 -2.087 -13.852 1.00 54.22 H new ATOM 0 HE3 LYS A 52 -0.381 -0.680 -14.873 1.00 54.22 H new ATOM 0 HZ1 LYS A 52 -1.097 -0.232 -12.629 1.00 35.42 H new ATOM 0 HZ2 LYS A 52 -2.434 -0.171 -13.675 1.00 35.42 H new ATOM 0 HZ3 LYS A 52 -2.199 -1.523 -12.674 1.00 35.42 H new ATOM 900 N MET A 53 -1.732 -6.095 -10.698 1.00 50.31 N ATOM 901 CA MET A 53 -0.831 -6.767 -9.743 1.00 44.42 C ATOM 902 C MET A 53 -1.126 -8.291 -9.624 1.00 22.21 C ATOM 903 O MET A 53 -2.291 -8.706 -9.547 1.00 13.20 O ATOM 904 CB MET A 53 -0.979 -6.079 -8.364 1.00 31.34 C ATOM 905 CG MET A 53 -0.008 -6.567 -7.309 1.00 12.52 C ATOM 906 SD MET A 53 -0.294 -5.871 -5.661 1.00 0.34 S ATOM 907 CE MET A 53 0.037 -4.125 -5.903 1.00 21.22 C ATOM 0 H MET A 53 -2.414 -5.484 -10.248 1.00 50.31 H new ATOM 0 HA MET A 53 0.192 -6.677 -10.108 1.00 44.42 H new ATOM 0 HB2 MET A 53 -0.846 -5.005 -8.492 1.00 31.34 H new ATOM 0 HB3 MET A 53 -1.996 -6.233 -8.003 1.00 31.34 H new ATOM 0 HG2 MET A 53 -0.070 -7.654 -7.248 1.00 12.52 H new ATOM 0 HG3 MET A 53 1.007 -6.323 -7.624 1.00 12.52 H new ATOM 0 HE1 MET A 53 -0.018 -3.608 -4.945 1.00 21.22 H new ATOM 0 HE2 MET A 53 1.033 -3.999 -6.326 1.00 21.22 H new ATOM 0 HE3 MET A 53 -0.703 -3.706 -6.585 1.00 21.22 H new ATOM 917 N ASN A 54 -0.053 -9.108 -9.596 1.00 13.32 N ATOM 918 CA ASN A 54 -0.141 -10.586 -9.478 1.00 12.43 C ATOM 919 C ASN A 54 -0.529 -11.051 -8.053 1.00 4.14 C ATOM 920 O ASN A 54 -0.309 -10.338 -7.072 1.00 0.15 O ATOM 921 CB ASN A 54 1.212 -11.236 -9.886 1.00 74.41 C ATOM 922 CG ASN A 54 1.369 -11.407 -11.391 1.00 24.42 C ATOM 923 OD1 ASN A 54 1.786 -10.497 -12.098 1.00 0.45 O ATOM 924 ND2 ASN A 54 1.035 -12.585 -11.892 1.00 33.53 N ATOM 0 H ASN A 54 0.905 -8.764 -9.655 1.00 13.32 H new ATOM 0 HA ASN A 54 -0.933 -10.909 -10.153 1.00 12.43 H new ATOM 0 HB2 ASN A 54 2.030 -10.622 -9.510 1.00 74.41 H new ATOM 0 HB3 ASN A 54 1.298 -12.211 -9.406 1.00 74.41 H new ATOM 0 HD21 ASN A 54 1.121 -12.756 -12.894 1.00 33.53 H new ATOM 0 HD22 ASN A 54 0.691 -13.322 -11.276 1.00 33.53 H new ATOM 931 N GLU A 55 -1.039 -12.297 -7.990 1.00 51.33 N ATOM 932 CA GLU A 55 -1.492 -12.987 -6.754 1.00 65.41 C ATOM 933 C GLU A 55 -0.429 -12.925 -5.630 1.00 64.12 C ATOM 934 O GLU A 55 -0.751 -12.679 -4.464 1.00 25.24 O ATOM 935 CB GLU A 55 -1.809 -14.484 -7.084 1.00 11.43 C ATOM 936 CG GLU A 55 -3.014 -14.762 -8.020 1.00 0.30 C ATOM 937 CD GLU A 55 -2.891 -14.179 -9.442 1.00 21.21 C ATOM 938 OE1 GLU A 55 -2.235 -14.802 -10.297 1.00 73.25 O ATOM 939 OE2 GLU A 55 -3.398 -13.063 -9.691 1.00 33.14 O ATOM 0 H GLU A 55 -1.153 -12.875 -8.823 1.00 51.33 H new ATOM 0 HA GLU A 55 -2.385 -12.475 -6.396 1.00 65.41 H new ATOM 0 HB2 GLU A 55 -0.921 -14.926 -7.536 1.00 11.43 H new ATOM 0 HB3 GLU A 55 -1.983 -15.008 -6.144 1.00 11.43 H new ATOM 0 HG2 GLU A 55 -3.151 -15.840 -8.098 1.00 0.30 H new ATOM 0 HG3 GLU A 55 -3.914 -14.359 -7.556 1.00 0.30 H new ATOM 946 N GLU A 56 0.832 -13.126 -6.033 1.00 23.40 N ATOM 947 CA GLU A 56 1.996 -13.165 -5.122 1.00 41.42 C ATOM 948 C GLU A 56 2.234 -11.778 -4.461 1.00 35.24 C ATOM 949 O GLU A 56 2.380 -11.654 -3.236 1.00 1.31 O ATOM 950 CB GLU A 56 3.265 -13.599 -5.925 1.00 74.22 C ATOM 951 CG GLU A 56 3.052 -14.738 -6.960 1.00 41.22 C ATOM 952 CD GLU A 56 2.359 -15.987 -6.379 1.00 12.14 C ATOM 953 OE1 GLU A 56 2.962 -16.657 -5.512 1.00 62.11 O ATOM 954 OE2 GLU A 56 1.212 -16.304 -6.792 1.00 0.11 O ATOM 0 H GLU A 56 1.082 -13.268 -7.012 1.00 23.40 H new ATOM 0 HA GLU A 56 1.796 -13.886 -4.329 1.00 41.42 H new ATOM 0 HB2 GLU A 56 3.657 -12.727 -6.448 1.00 74.22 H new ATOM 0 HB3 GLU A 56 4.030 -13.916 -5.216 1.00 74.22 H new ATOM 0 HG2 GLU A 56 2.456 -14.356 -7.789 1.00 41.22 H new ATOM 0 HG3 GLU A 56 4.019 -15.029 -7.370 1.00 41.22 H new ATOM 961 N GLU A 57 2.240 -10.743 -5.315 1.00 2.23 N ATOM 962 CA GLU A 57 2.493 -9.337 -4.922 1.00 61.25 C ATOM 963 C GLU A 57 1.341 -8.762 -4.055 1.00 44.15 C ATOM 964 O GLU A 57 1.565 -7.885 -3.222 1.00 34.04 O ATOM 965 CB GLU A 57 2.677 -8.479 -6.196 1.00 24.12 C ATOM 966 CG GLU A 57 3.727 -8.998 -7.199 1.00 34.02 C ATOM 967 CD GLU A 57 3.812 -8.131 -8.471 1.00 44.21 C ATOM 968 OE1 GLU A 57 2.867 -8.173 -9.290 1.00 4.54 O ATOM 969 OE2 GLU A 57 4.815 -7.407 -8.659 1.00 4.34 O ATOM 0 H GLU A 57 2.067 -10.855 -6.314 1.00 2.23 H new ATOM 0 HA GLU A 57 3.399 -9.310 -4.317 1.00 61.25 H new ATOM 0 HB2 GLU A 57 1.717 -8.407 -6.707 1.00 24.12 H new ATOM 0 HB3 GLU A 57 2.955 -7.469 -5.896 1.00 24.12 H new ATOM 0 HG2 GLU A 57 4.704 -9.024 -6.716 1.00 34.02 H new ATOM 0 HG3 GLU A 57 3.482 -10.023 -7.478 1.00 34.02 H new ATOM 976 N LEU A 58 0.103 -9.246 -4.305 1.00 41.13 N ATOM 977 CA LEU A 58 -1.105 -8.887 -3.510 1.00 1.40 C ATOM 978 C LEU A 58 -0.953 -9.267 -2.014 1.00 64.21 C ATOM 979 O LEU A 58 -1.444 -8.567 -1.126 1.00 40.04 O ATOM 980 CB LEU A 58 -2.355 -9.602 -4.094 1.00 60.12 C ATOM 981 CG LEU A 58 -2.781 -9.172 -5.527 1.00 44.42 C ATOM 982 CD1 LEU A 58 -3.898 -10.069 -6.068 1.00 25.44 C ATOM 983 CD2 LEU A 58 -3.202 -7.698 -5.570 1.00 74.14 C ATOM 0 H LEU A 58 -0.092 -9.898 -5.064 1.00 41.13 H new ATOM 0 HA LEU A 58 -1.224 -7.805 -3.573 1.00 1.40 H new ATOM 0 HB2 LEU A 58 -2.165 -10.675 -4.100 1.00 60.12 H new ATOM 0 HB3 LEU A 58 -3.195 -9.431 -3.420 1.00 60.12 H new ATOM 0 HG LEU A 58 -1.910 -9.290 -6.171 1.00 44.42 H new ATOM 0 HD11 LEU A 58 -4.173 -9.743 -7.071 1.00 25.44 H new ATOM 0 HD12 LEU A 58 -3.550 -11.101 -6.105 1.00 25.44 H new ATOM 0 HD13 LEU A 58 -4.767 -10.003 -5.414 1.00 25.44 H new ATOM 0 HD21 LEU A 58 -3.493 -7.432 -6.586 1.00 74.14 H new ATOM 0 HD22 LEU A 58 -4.046 -7.541 -4.898 1.00 74.14 H new ATOM 0 HD23 LEU A 58 -2.367 -7.072 -5.256 1.00 74.14 H new ATOM 995 N GLU A 59 -0.281 -10.399 -1.765 1.00 5.20 N ATOM 996 CA GLU A 59 -0.018 -10.912 -0.404 1.00 32.12 C ATOM 997 C GLU A 59 1.072 -10.070 0.315 1.00 32.30 C ATOM 998 O GLU A 59 1.068 -9.942 1.543 1.00 52.23 O ATOM 999 CB GLU A 59 0.388 -12.405 -0.505 1.00 41.53 C ATOM 1000 CG GLU A 59 -0.650 -13.281 -1.233 1.00 2.03 C ATOM 1001 CD GLU A 59 -0.228 -14.754 -1.366 1.00 25.34 C ATOM 1002 OE1 GLU A 59 0.559 -15.071 -2.284 1.00 30.11 O ATOM 1003 OE2 GLU A 59 -0.693 -15.598 -0.561 1.00 32.42 O ATOM 0 H GLU A 59 0.100 -10.991 -2.503 1.00 5.20 H new ATOM 0 HA GLU A 59 -0.922 -10.827 0.198 1.00 32.12 H new ATOM 0 HB2 GLU A 59 1.342 -12.478 -1.027 1.00 41.53 H new ATOM 0 HB3 GLU A 59 0.543 -12.799 0.499 1.00 41.53 H new ATOM 0 HG2 GLU A 59 -1.597 -13.230 -0.695 1.00 2.03 H new ATOM 0 HG3 GLU A 59 -0.826 -12.871 -2.228 1.00 2.03 H new ATOM 1010 N GLU A 60 2.001 -9.498 -0.479 1.00 60.12 N ATOM 1011 CA GLU A 60 2.988 -8.497 0.008 1.00 13.05 C ATOM 1012 C GLU A 60 2.274 -7.163 0.350 1.00 43.02 C ATOM 1013 O GLU A 60 2.601 -6.504 1.347 1.00 43.32 O ATOM 1014 CB GLU A 60 4.084 -8.264 -1.069 1.00 12.43 C ATOM 1015 CG GLU A 60 5.175 -7.225 -0.699 1.00 21.43 C ATOM 1016 CD GLU A 60 6.176 -6.919 -1.837 1.00 44.32 C ATOM 1017 OE1 GLU A 60 5.781 -6.959 -3.024 1.00 40.22 O ATOM 1018 OE2 GLU A 60 7.353 -6.614 -1.550 1.00 35.10 O ATOM 0 H GLU A 60 2.093 -9.712 -1.472 1.00 60.12 H new ATOM 0 HA GLU A 60 3.461 -8.878 0.913 1.00 13.05 H new ATOM 0 HB2 GLU A 60 4.571 -9.217 -1.279 1.00 12.43 H new ATOM 0 HB3 GLU A 60 3.600 -7.943 -1.991 1.00 12.43 H new ATOM 0 HG2 GLU A 60 4.689 -6.297 -0.399 1.00 21.43 H new ATOM 0 HG3 GLU A 60 5.728 -7.589 0.167 1.00 21.43 H new ATOM 1025 N TYR A 61 1.298 -6.779 -0.499 1.00 64.15 N ATOM 1026 CA TYR A 61 0.461 -5.580 -0.289 1.00 73.22 C ATOM 1027 C TYR A 61 -0.359 -5.672 1.015 1.00 42.55 C ATOM 1028 O TYR A 61 -0.472 -4.688 1.748 1.00 40.41 O ATOM 1029 CB TYR A 61 -0.475 -5.357 -1.501 1.00 73.15 C ATOM 1030 CG TYR A 61 -1.264 -4.041 -1.434 1.00 32.23 C ATOM 1031 CD1 TYR A 61 -0.592 -2.823 -1.430 1.00 3.31 C ATOM 1032 CD2 TYR A 61 -2.662 -4.010 -1.372 1.00 35.14 C ATOM 1033 CE1 TYR A 61 -1.269 -1.631 -1.373 1.00 60.33 C ATOM 1034 CE2 TYR A 61 -3.347 -2.806 -1.320 1.00 74.12 C ATOM 1035 CZ TYR A 61 -2.637 -1.619 -1.323 1.00 52.44 C ATOM 1036 OH TYR A 61 -3.293 -0.413 -1.286 1.00 1.31 O ATOM 0 H TYR A 61 1.068 -7.292 -1.350 1.00 64.15 H new ATOM 0 HA TYR A 61 1.131 -4.725 -0.195 1.00 73.22 H new ATOM 0 HB2 TYR A 61 0.119 -5.369 -2.415 1.00 73.15 H new ATOM 0 HB3 TYR A 61 -1.177 -6.189 -1.566 1.00 73.15 H new ATOM 0 HD1 TYR A 61 0.487 -2.816 -1.473 1.00 3.31 H new ATOM 0 HD2 TYR A 61 -3.215 -4.938 -1.365 1.00 35.14 H new ATOM 0 HE1 TYR A 61 -0.721 -0.700 -1.368 1.00 60.33 H new ATOM 0 HE2 TYR A 61 -4.426 -2.795 -1.277 1.00 74.12 H new ATOM 0 HH TYR A 61 -2.763 0.262 -1.759 1.00 1.31 H new ATOM 1046 N ASP A 62 -0.902 -6.871 1.291 1.00 52.41 N ATOM 1047 CA ASP A 62 -1.677 -7.157 2.520 1.00 53.31 C ATOM 1048 C ASP A 62 -0.860 -6.820 3.802 1.00 64.04 C ATOM 1049 O ASP A 62 -1.391 -6.230 4.750 1.00 41.32 O ATOM 1050 CB ASP A 62 -2.120 -8.645 2.508 1.00 44.31 C ATOM 1051 CG ASP A 62 -3.025 -9.014 3.695 1.00 42.42 C ATOM 1052 OD1 ASP A 62 -4.179 -8.536 3.738 1.00 11.05 O ATOM 1053 OD2 ASP A 62 -2.591 -9.768 4.587 1.00 23.41 O ATOM 0 H ASP A 62 -0.818 -7.674 0.668 1.00 52.41 H new ATOM 0 HA ASP A 62 -2.562 -6.520 2.537 1.00 53.31 H new ATOM 0 HB2 ASP A 62 -2.648 -8.853 1.578 1.00 44.31 H new ATOM 0 HB3 ASP A 62 -1.235 -9.282 2.522 1.00 44.31 H new ATOM 1058 N SER A 63 0.443 -7.164 3.773 1.00 2.35 N ATOM 1059 CA SER A 63 1.414 -6.867 4.862 1.00 41.12 C ATOM 1060 C SER A 63 1.520 -5.347 5.162 1.00 51.32 C ATOM 1061 O SER A 63 1.613 -4.939 6.324 1.00 31.02 O ATOM 1062 CB SER A 63 2.811 -7.427 4.488 1.00 0.32 C ATOM 1063 OG SER A 63 2.755 -8.820 4.231 1.00 14.43 O ATOM 0 H SER A 63 0.862 -7.661 2.987 1.00 2.35 H new ATOM 0 HA SER A 63 1.046 -7.352 5.766 1.00 41.12 H new ATOM 0 HB2 SER A 63 3.190 -6.907 3.608 1.00 0.32 H new ATOM 0 HB3 SER A 63 3.512 -7.233 5.299 1.00 0.32 H new ATOM 0 HG SER A 63 3.649 -9.146 3.996 1.00 14.43 H new ATOM 1069 N LEU A 64 1.479 -4.518 4.094 1.00 52.53 N ATOM 1070 CA LEU A 64 1.556 -3.032 4.198 1.00 4.25 C ATOM 1071 C LEU A 64 0.291 -2.434 4.864 1.00 52.03 C ATOM 1072 O LEU A 64 0.353 -1.402 5.533 1.00 71.10 O ATOM 1073 CB LEU A 64 1.754 -2.415 2.784 1.00 73.33 C ATOM 1074 CG LEU A 64 1.986 -0.869 2.717 1.00 12.12 C ATOM 1075 CD1 LEU A 64 3.298 -0.463 3.430 1.00 74.11 C ATOM 1076 CD2 LEU A 64 1.957 -0.358 1.254 1.00 52.43 C ATOM 0 H LEU A 64 1.392 -4.854 3.135 1.00 52.53 H new ATOM 0 HA LEU A 64 2.409 -2.786 4.830 1.00 4.25 H new ATOM 0 HB2 LEU A 64 2.606 -2.907 2.314 1.00 73.33 H new ATOM 0 HB3 LEU A 64 0.877 -2.654 2.183 1.00 73.33 H new ATOM 0 HG LEU A 64 1.164 -0.391 3.249 1.00 12.12 H new ATOM 0 HD11 LEU A 64 3.428 0.617 3.365 1.00 74.11 H new ATOM 0 HD12 LEU A 64 3.250 -0.760 4.478 1.00 74.11 H new ATOM 0 HD13 LEU A 64 4.141 -0.960 2.951 1.00 74.11 H new ATOM 0 HD21 LEU A 64 2.121 0.719 1.242 1.00 52.43 H new ATOM 0 HD22 LEU A 64 2.742 -0.851 0.681 1.00 52.43 H new ATOM 0 HD23 LEU A 64 0.987 -0.582 0.809 1.00 52.43 H new ATOM 1088 N LEU A 65 -0.857 -3.106 4.674 1.00 25.01 N ATOM 1089 CA LEU A 65 -2.173 -2.635 5.190 1.00 32.42 C ATOM 1090 C LEU A 65 -2.310 -2.849 6.716 1.00 51.44 C ATOM 1091 O LEU A 65 -3.200 -2.283 7.354 1.00 70.13 O ATOM 1092 CB LEU A 65 -3.324 -3.345 4.427 1.00 24.53 C ATOM 1093 CG LEU A 65 -3.149 -3.446 2.880 1.00 3.02 C ATOM 1094 CD1 LEU A 65 -4.402 -4.022 2.199 1.00 25.00 C ATOM 1095 CD2 LEU A 65 -2.725 -2.096 2.264 1.00 12.34 C ATOM 0 H LEU A 65 -0.909 -3.987 4.163 1.00 25.01 H new ATOM 0 HA LEU A 65 -2.236 -1.561 5.015 1.00 32.42 H new ATOM 0 HB2 LEU A 65 -3.434 -4.352 4.828 1.00 24.53 H new ATOM 0 HB3 LEU A 65 -4.254 -2.816 4.635 1.00 24.53 H new ATOM 0 HG LEU A 65 -2.337 -4.149 2.694 1.00 3.02 H new ATOM 0 HD11 LEU A 65 -4.239 -4.076 1.123 1.00 25.00 H new ATOM 0 HD12 LEU A 65 -4.600 -5.021 2.586 1.00 25.00 H new ATOM 0 HD13 LEU A 65 -5.257 -3.378 2.405 1.00 25.00 H new ATOM 0 HD21 LEU A 65 -2.613 -2.207 1.185 1.00 12.34 H new ATOM 0 HD22 LEU A 65 -3.486 -1.345 2.474 1.00 12.34 H new ATOM 0 HD23 LEU A 65 -1.775 -1.781 2.696 1.00 12.34 H new ATOM 1107 N ASN A 66 -1.420 -3.684 7.283 1.00 33.40 N ATOM 1108 CA ASN A 66 -1.328 -3.917 8.743 1.00 25.04 C ATOM 1109 C ASN A 66 -0.243 -3.011 9.404 1.00 60.55 C ATOM 1110 O ASN A 66 0.029 -3.139 10.604 1.00 24.25 O ATOM 1111 CB ASN A 66 -1.038 -5.412 9.016 1.00 71.35 C ATOM 1112 CG ASN A 66 -2.175 -6.345 8.588 1.00 14.45 C ATOM 1113 OD1 ASN A 66 -3.081 -6.638 9.360 1.00 15.05 O ATOM 1114 ND2 ASN A 66 -2.143 -6.817 7.361 1.00 11.42 N ATOM 0 H ASN A 66 -0.741 -4.220 6.743 1.00 33.40 H new ATOM 0 HA ASN A 66 -2.285 -3.651 9.192 1.00 25.04 H new ATOM 0 HB2 ASN A 66 -0.127 -5.699 8.491 1.00 71.35 H new ATOM 0 HB3 ASN A 66 -0.849 -5.548 10.081 1.00 71.35 H new ATOM 0 HD21 ASN A 66 -2.882 -7.440 7.035 1.00 11.42 H new ATOM 0 HD22 ASN A 66 -1.379 -6.560 6.735 1.00 11.42 H new ATOM 1121 N GLU A 67 0.368 -2.101 8.611 1.00 2.23 N ATOM 1122 CA GLU A 67 1.360 -1.104 9.106 1.00 70.35 C ATOM 1123 C GLU A 67 0.669 0.210 9.551 1.00 62.24 C ATOM 1124 O GLU A 67 -0.511 0.442 9.242 1.00 54.42 O ATOM 1125 CB GLU A 67 2.400 -0.795 7.986 1.00 13.35 C ATOM 1126 CG GLU A 67 3.244 -1.999 7.519 1.00 42.14 C ATOM 1127 CD GLU A 67 4.205 -2.520 8.595 1.00 2.11 C ATOM 1128 OE1 GLU A 67 3.810 -3.382 9.408 1.00 34.15 O ATOM 1129 OE2 GLU A 67 5.366 -2.070 8.641 1.00 41.51 O ATOM 0 H GLU A 67 0.191 -2.033 7.609 1.00 2.23 H new ATOM 0 HA GLU A 67 1.864 -1.532 9.972 1.00 70.35 H new ATOM 0 HB2 GLU A 67 1.871 -0.387 7.125 1.00 13.35 H new ATOM 0 HB3 GLU A 67 3.074 -0.017 8.344 1.00 13.35 H new ATOM 0 HG2 GLU A 67 2.577 -2.806 7.216 1.00 42.14 H new ATOM 0 HG3 GLU A 67 3.818 -1.712 6.638 1.00 42.14 H new ATOM 1136 N LEU A 68 1.417 1.076 10.270 1.00 51.13 N ATOM 1137 CA LEU A 68 0.900 2.382 10.732 1.00 32.11 C ATOM 1138 C LEU A 68 0.913 3.412 9.590 1.00 13.04 C ATOM 1139 O LEU A 68 1.909 3.550 8.880 1.00 44.30 O ATOM 1140 CB LEU A 68 1.696 2.951 11.937 1.00 11.04 C ATOM 1141 CG LEU A 68 1.583 2.160 13.282 1.00 12.12 C ATOM 1142 CD1 LEU A 68 2.513 0.923 13.320 1.00 50.45 C ATOM 1143 CD2 LEU A 68 1.828 3.097 14.485 1.00 21.44 C ATOM 0 H LEU A 68 2.383 0.893 10.543 1.00 51.13 H new ATOM 0 HA LEU A 68 -0.124 2.202 11.060 1.00 32.11 H new ATOM 0 HB2 LEU A 68 2.748 3.001 11.658 1.00 11.04 H new ATOM 0 HB3 LEU A 68 1.364 3.974 12.113 1.00 11.04 H new ATOM 0 HG LEU A 68 0.565 1.777 13.351 1.00 12.12 H new ATOM 0 HD11 LEU A 68 2.396 0.409 14.274 1.00 50.45 H new ATOM 0 HD12 LEU A 68 2.250 0.245 12.508 1.00 50.45 H new ATOM 0 HD13 LEU A 68 3.549 1.243 13.204 1.00 50.45 H new ATOM 0 HD21 LEU A 68 1.745 2.529 15.412 1.00 21.44 H new ATOM 0 HD22 LEU A 68 2.826 3.529 14.412 1.00 21.44 H new ATOM 0 HD23 LEU A 68 1.086 3.895 14.481 1.00 21.44 H new ATOM 1155 N ASP A 69 -0.198 4.141 9.475 1.00 2.14 N ATOM 1156 CA ASP A 69 -0.431 5.160 8.428 1.00 72.03 C ATOM 1157 C ASP A 69 0.733 6.190 8.278 1.00 14.44 C ATOM 1158 O ASP A 69 1.270 6.352 7.180 1.00 21.03 O ATOM 1159 CB ASP A 69 -1.779 5.870 8.699 1.00 33.33 C ATOM 1160 CG ASP A 69 -1.926 6.333 10.158 1.00 53.24 C ATOM 1161 OD1 ASP A 69 -2.297 5.500 11.008 1.00 32.12 O ATOM 1162 OD2 ASP A 69 -1.659 7.508 10.463 1.00 50.22 O ATOM 0 H ASP A 69 -0.984 4.044 10.118 1.00 2.14 H new ATOM 0 HA ASP A 69 -0.470 4.638 7.472 1.00 72.03 H new ATOM 0 HB2 ASP A 69 -1.870 6.732 8.038 1.00 33.33 H new ATOM 0 HB3 ASP A 69 -2.597 5.193 8.453 1.00 33.33 H new ATOM 1167 N TRP A 70 1.124 6.853 9.387 1.00 43.22 N ATOM 1168 CA TRP A 70 2.244 7.835 9.396 1.00 31.32 C ATOM 1169 C TRP A 70 3.570 7.228 8.887 1.00 34.34 C ATOM 1170 O TRP A 70 4.309 7.885 8.147 1.00 30.21 O ATOM 1171 CB TRP A 70 2.457 8.447 10.814 1.00 23.44 C ATOM 1172 CG TRP A 70 1.527 9.588 11.153 1.00 30.33 C ATOM 1173 CD1 TRP A 70 0.608 9.645 12.160 1.00 75.12 C ATOM 1174 CD2 TRP A 70 1.444 10.847 10.464 1.00 14.12 C ATOM 1175 NE1 TRP A 70 -0.027 10.861 12.148 1.00 4.34 N ATOM 1176 CE2 TRP A 70 0.465 11.613 11.115 1.00 51.32 C ATOM 1177 CE3 TRP A 70 2.109 11.401 9.362 1.00 10.22 C ATOM 1178 CZ2 TRP A 70 0.127 12.901 10.699 1.00 51.33 C ATOM 1179 CZ3 TRP A 70 1.770 12.675 8.946 1.00 2.52 C ATOM 1180 CH2 TRP A 70 0.789 13.413 9.617 1.00 3.02 C ATOM 0 H TRP A 70 0.681 6.729 10.297 1.00 43.22 H new ATOM 0 HA TRP A 70 1.952 8.627 8.707 1.00 31.32 H new ATOM 0 HB2 TRP A 70 2.331 7.660 11.558 1.00 23.44 H new ATOM 0 HB3 TRP A 70 3.486 8.798 10.893 1.00 23.44 H new ATOM 0 HD1 TRP A 70 0.410 8.850 12.863 1.00 75.12 H new ATOM 0 HE1 TRP A 70 -0.750 11.157 12.804 1.00 4.34 H new ATOM 0 HE3 TRP A 70 2.875 10.841 8.846 1.00 10.22 H new ATOM 0 HZ2 TRP A 70 -0.631 13.474 11.213 1.00 51.33 H new ATOM 0 HZ3 TRP A 70 2.269 13.107 8.091 1.00 2.52 H new ATOM 0 HH2 TRP A 70 0.549 14.408 9.273 1.00 3.02 H new ATOM 1191 N ASP A 71 3.840 5.968 9.260 1.00 64.22 N ATOM 1192 CA ASP A 71 5.074 5.260 8.863 1.00 62.33 C ATOM 1193 C ASP A 71 5.098 5.004 7.340 1.00 13.31 C ATOM 1194 O ASP A 71 6.054 5.378 6.660 1.00 31.23 O ATOM 1195 CB ASP A 71 5.198 3.930 9.649 1.00 24.15 C ATOM 1196 CG ASP A 71 5.240 4.091 11.181 1.00 51.31 C ATOM 1197 OD1 ASP A 71 5.405 5.220 11.691 1.00 12.52 O ATOM 1198 OD2 ASP A 71 5.126 3.072 11.886 1.00 44.40 O ATOM 0 H ASP A 71 3.215 5.411 9.842 1.00 64.22 H new ATOM 0 HA ASP A 71 5.930 5.890 9.106 1.00 62.33 H new ATOM 0 HB2 ASP A 71 4.356 3.289 9.387 1.00 24.15 H new ATOM 0 HB3 ASP A 71 6.103 3.416 9.326 1.00 24.15 H new ATOM 1203 N ILE A 72 3.998 4.400 6.830 1.00 75.33 N ATOM 1204 CA ILE A 72 3.774 4.150 5.375 1.00 0.34 C ATOM 1205 C ILE A 72 3.968 5.451 4.554 1.00 33.14 C ATOM 1206 O ILE A 72 4.588 5.449 3.483 1.00 50.41 O ATOM 1207 CB ILE A 72 2.313 3.601 5.120 1.00 61.03 C ATOM 1208 CG1 ILE A 72 2.028 2.315 5.957 1.00 14.02 C ATOM 1209 CG2 ILE A 72 2.052 3.334 3.612 1.00 71.15 C ATOM 1210 CD1 ILE A 72 0.564 1.873 5.964 1.00 54.22 C ATOM 0 H ILE A 72 3.232 4.068 7.416 1.00 75.33 H new ATOM 0 HA ILE A 72 4.505 3.407 5.055 1.00 0.34 H new ATOM 0 HB ILE A 72 1.625 4.380 5.448 1.00 61.03 H new ATOM 0 HG12 ILE A 72 2.638 1.500 5.567 1.00 14.02 H new ATOM 0 HG13 ILE A 72 2.347 2.488 6.985 1.00 14.02 H new ATOM 0 HG21 ILE A 72 1.038 2.958 3.479 1.00 71.15 H new ATOM 0 HG22 ILE A 72 2.171 4.262 3.052 1.00 71.15 H new ATOM 0 HG23 ILE A 72 2.764 2.595 3.245 1.00 71.15 H new ATOM 0 HD11 ILE A 72 0.459 0.973 6.569 1.00 54.22 H new ATOM 0 HD12 ILE A 72 -0.054 2.667 6.384 1.00 54.22 H new ATOM 0 HD13 ILE A 72 0.242 1.664 4.944 1.00 54.22 H new ATOM 1222 N TYR A 73 3.437 6.558 5.108 1.00 3.03 N ATOM 1223 CA TYR A 73 3.508 7.893 4.497 1.00 22.11 C ATOM 1224 C TYR A 73 4.967 8.388 4.371 1.00 74.12 C ATOM 1225 O TYR A 73 5.370 8.846 3.313 1.00 53.24 O ATOM 1226 CB TYR A 73 2.668 8.899 5.326 1.00 51.21 C ATOM 1227 CG TYR A 73 2.587 10.301 4.706 1.00 33.43 C ATOM 1228 CD1 TYR A 73 1.822 10.527 3.559 1.00 33.32 C ATOM 1229 CD2 TYR A 73 3.297 11.384 5.239 1.00 75.25 C ATOM 1230 CE1 TYR A 73 1.763 11.775 2.974 1.00 33.41 C ATOM 1231 CE2 TYR A 73 3.244 12.634 4.651 1.00 71.44 C ATOM 1232 CZ TYR A 73 2.476 12.825 3.521 1.00 13.30 C ATOM 1233 OH TYR A 73 2.431 14.068 2.927 1.00 0.30 O ATOM 0 H TYR A 73 2.943 6.547 6.000 1.00 3.03 H new ATOM 0 HA TYR A 73 3.098 7.823 3.490 1.00 22.11 H new ATOM 0 HB2 TYR A 73 1.658 8.505 5.442 1.00 51.21 H new ATOM 0 HB3 TYR A 73 3.096 8.978 6.325 1.00 51.21 H new ATOM 0 HD1 TYR A 73 1.267 9.710 3.122 1.00 33.32 H new ATOM 0 HD2 TYR A 73 3.897 11.240 6.125 1.00 75.25 H new ATOM 0 HE1 TYR A 73 1.161 11.931 2.091 1.00 33.41 H new ATOM 0 HE2 TYR A 73 3.801 13.457 5.074 1.00 71.44 H new ATOM 0 HH TYR A 73 1.501 14.371 2.872 1.00 0.30 H new ATOM 1243 N TYR A 74 5.749 8.269 5.460 1.00 52.24 N ATOM 1244 CA TYR A 74 7.147 8.774 5.510 1.00 33.42 C ATOM 1245 C TYR A 74 8.151 7.864 4.764 1.00 63.54 C ATOM 1246 O TYR A 74 9.309 8.249 4.572 1.00 35.24 O ATOM 1247 CB TYR A 74 7.605 8.953 6.974 1.00 12.02 C ATOM 1248 CG TYR A 74 6.862 10.035 7.770 1.00 32.52 C ATOM 1249 CD1 TYR A 74 6.560 11.276 7.205 1.00 30.20 C ATOM 1250 CD2 TYR A 74 6.504 9.834 9.103 1.00 61.21 C ATOM 1251 CE1 TYR A 74 5.936 12.266 7.930 1.00 74.43 C ATOM 1252 CE2 TYR A 74 5.870 10.816 9.831 1.00 2.51 C ATOM 1253 CZ TYR A 74 5.590 12.034 9.245 1.00 21.31 C ATOM 1254 OH TYR A 74 4.971 13.030 9.977 1.00 12.12 O ATOM 0 H TYR A 74 5.440 7.826 6.325 1.00 52.24 H new ATOM 0 HA TYR A 74 7.140 9.736 4.998 1.00 33.42 H new ATOM 0 HB2 TYR A 74 7.489 8.001 7.492 1.00 12.02 H new ATOM 0 HB3 TYR A 74 8.669 9.190 6.977 1.00 12.02 H new ATOM 0 HD1 TYR A 74 6.822 11.464 6.174 1.00 30.20 H new ATOM 0 HD2 TYR A 74 6.729 8.888 9.574 1.00 61.21 H new ATOM 0 HE1 TYR A 74 5.718 13.219 7.472 1.00 74.43 H new ATOM 0 HE2 TYR A 74 5.592 10.634 10.859 1.00 2.51 H new ATOM 0 HH TYR A 74 4.001 12.980 9.843 1.00 12.12 H new ATOM 1264 N TRP A 75 7.720 6.645 4.399 1.00 32.13 N ATOM 1265 CA TRP A 75 8.516 5.741 3.539 1.00 71.52 C ATOM 1266 C TRP A 75 8.227 6.008 2.040 1.00 13.52 C ATOM 1267 O TRP A 75 9.116 5.867 1.195 1.00 51.41 O ATOM 1268 CB TRP A 75 8.231 4.259 3.887 1.00 42.43 C ATOM 1269 CG TRP A 75 8.550 3.863 5.317 1.00 5.13 C ATOM 1270 CD1 TRP A 75 9.545 4.358 6.120 1.00 52.12 C ATOM 1271 CD2 TRP A 75 7.875 2.862 6.093 1.00 3.52 C ATOM 1272 NE1 TRP A 75 9.508 3.745 7.345 1.00 31.22 N ATOM 1273 CE2 TRP A 75 8.495 2.823 7.352 1.00 62.11 C ATOM 1274 CE3 TRP A 75 6.796 2.004 5.839 1.00 53.24 C ATOM 1275 CZ2 TRP A 75 8.073 1.960 8.361 1.00 50.31 C ATOM 1276 CZ3 TRP A 75 6.380 1.148 6.839 1.00 74.00 C ATOM 1277 CH2 TRP A 75 7.018 1.128 8.086 1.00 35.41 C ATOM 0 H TRP A 75 6.821 6.258 4.686 1.00 32.13 H new ATOM 0 HA TRP A 75 9.571 5.943 3.726 1.00 71.52 H new ATOM 0 HB2 TRP A 75 7.178 4.052 3.695 1.00 42.43 H new ATOM 0 HB3 TRP A 75 8.808 3.626 3.213 1.00 42.43 H new ATOM 0 HD1 TRP A 75 10.254 5.119 5.830 1.00 52.12 H new ATOM 0 HE1 TRP A 75 10.134 3.943 8.126 1.00 31.22 H new ATOM 0 HE3 TRP A 75 6.300 2.012 4.880 1.00 53.24 H new ATOM 0 HZ2 TRP A 75 8.559 1.947 9.325 1.00 50.31 H new ATOM 0 HZ3 TRP A 75 5.549 0.483 6.657 1.00 74.00 H new ATOM 0 HH2 TRP A 75 6.672 0.443 8.846 1.00 35.41 H new ATOM 1288 N ALA A 76 6.961 6.365 1.726 1.00 1.13 N ATOM 1289 CA ALA A 76 6.551 6.788 0.363 1.00 12.15 C ATOM 1290 C ALA A 76 7.164 8.162 0.002 1.00 41.02 C ATOM 1291 O ALA A 76 7.810 8.323 -1.038 1.00 10.33 O ATOM 1292 CB ALA A 76 5.022 6.843 0.267 1.00 0.04 C ATOM 0 H ALA A 76 6.198 6.369 2.403 1.00 1.13 H new ATOM 0 HA ALA A 76 6.924 6.054 -0.351 1.00 12.15 H new ATOM 0 HB1 ALA A 76 4.731 7.154 -0.736 1.00 0.04 H new ATOM 0 HB2 ALA A 76 4.609 5.856 0.475 1.00 0.04 H new ATOM 0 HB3 ALA A 76 4.637 7.558 0.994 1.00 0.04 H new ATOM 1298 N THR A 77 6.931 9.143 0.887 1.00 11.30 N ATOM 1299 CA THR A 77 7.583 10.470 0.836 1.00 3.41 C ATOM 1300 C THR A 77 9.005 10.373 1.434 1.00 41.03 C ATOM 1301 O THR A 77 9.365 9.358 2.030 1.00 3.00 O ATOM 1302 CB THR A 77 6.756 11.552 1.616 1.00 52.52 C ATOM 1303 OG1 THR A 77 6.780 11.286 3.032 1.00 11.11 O ATOM 1304 CG2 THR A 77 5.293 11.611 1.135 1.00 44.15 C ATOM 0 H THR A 77 6.280 9.042 1.666 1.00 11.30 H new ATOM 0 HA THR A 77 7.637 10.777 -0.208 1.00 3.41 H new ATOM 0 HB THR A 77 7.224 12.516 1.416 1.00 52.52 H new ATOM 0 HG1 THR A 77 6.251 10.483 3.223 1.00 11.11 H new ATOM 0 HG21 THR A 77 4.755 12.372 1.700 1.00 44.15 H new ATOM 0 HG22 THR A 77 5.269 11.861 0.074 1.00 44.15 H new ATOM 0 HG23 THR A 77 4.820 10.642 1.290 1.00 44.15 H new ATOM 1312 N LYS A 78 9.815 11.433 1.305 1.00 14.15 N ATOM 1313 CA LYS A 78 11.266 11.364 1.640 1.00 13.50 C ATOM 1314 C LYS A 78 11.562 11.874 3.084 1.00 13.02 C ATOM 1315 O LYS A 78 12.594 12.512 3.337 1.00 4.12 O ATOM 1316 CB LYS A 78 12.072 12.156 0.563 1.00 74.31 C ATOM 1317 CG LYS A 78 13.506 11.621 0.322 1.00 34.23 C ATOM 1318 CD LYS A 78 14.283 12.397 -0.773 1.00 65.32 C ATOM 1319 CE LYS A 78 13.512 12.518 -2.108 1.00 75.43 C ATOM 1320 NZ LYS A 78 13.075 11.200 -2.650 1.00 50.12 N ATOM 0 H LYS A 78 9.505 12.347 0.975 1.00 14.15 H new ATOM 0 HA LYS A 78 11.582 10.321 1.627 1.00 13.50 H new ATOM 0 HB2 LYS A 78 11.523 12.129 -0.378 1.00 74.31 H new ATOM 0 HB3 LYS A 78 12.132 13.201 0.866 1.00 74.31 H new ATOM 0 HG2 LYS A 78 14.065 11.671 1.256 1.00 34.23 H new ATOM 0 HG3 LYS A 78 13.450 10.570 0.040 1.00 34.23 H new ATOM 0 HD2 LYS A 78 14.514 13.396 -0.404 1.00 65.32 H new ATOM 0 HD3 LYS A 78 15.234 11.897 -0.956 1.00 65.32 H new ATOM 0 HE2 LYS A 78 12.638 13.152 -1.960 1.00 75.43 H new ATOM 0 HE3 LYS A 78 14.145 13.015 -2.843 1.00 75.43 H new ATOM 0 HZ1 LYS A 78 12.609 11.340 -3.569 1.00 50.12 H new ATOM 0 HZ2 LYS A 78 13.903 10.583 -2.772 1.00 50.12 H new ATOM 0 HZ3 LYS A 78 12.407 10.756 -1.987 1.00 50.12 H new ATOM 1334 N ASN A 79 10.676 11.529 4.046 1.00 12.01 N ATOM 1335 CA ASN A 79 10.788 11.998 5.457 1.00 13.51 C ATOM 1336 C ASN A 79 11.157 10.822 6.402 1.00 45.12 C ATOM 1337 O ASN A 79 10.536 10.619 7.459 1.00 33.21 O ATOM 1338 CB ASN A 79 9.466 12.674 5.904 1.00 42.40 C ATOM 1339 CG ASN A 79 9.067 13.863 5.029 1.00 52.44 C ATOM 1340 OD1 ASN A 79 9.514 14.984 5.238 1.00 54.31 O ATOM 1341 ND2 ASN A 79 8.201 13.634 4.068 1.00 2.05 N ATOM 0 H ASN A 79 9.871 10.926 3.876 1.00 12.01 H new ATOM 0 HA ASN A 79 11.589 12.736 5.514 1.00 13.51 H new ATOM 0 HB2 ASN A 79 8.665 11.935 5.888 1.00 42.40 H new ATOM 0 HB3 ASN A 79 9.569 13.010 6.936 1.00 42.40 H new ATOM 0 HD21 ASN A 79 7.884 14.400 3.474 1.00 2.05 H new ATOM 0 HD22 ASN A 79 7.845 12.690 3.916 1.00 2.05 H new ATOM 1348 N PHE A 80 12.220 10.089 6.030 1.00 5.05 N ATOM 1349 CA PHE A 80 12.741 8.929 6.805 1.00 12.35 C ATOM 1350 C PHE A 80 13.352 9.356 8.172 1.00 23.14 C ATOM 1351 O PHE A 80 13.613 8.512 9.036 1.00 4.42 O ATOM 1352 CB PHE A 80 13.799 8.168 5.964 1.00 41.22 C ATOM 1353 CG PHE A 80 13.267 7.596 4.645 1.00 62.34 C ATOM 1354 CD1 PHE A 80 13.306 8.347 3.465 1.00 4.44 C ATOM 1355 CD2 PHE A 80 12.731 6.306 4.583 1.00 62.15 C ATOM 1356 CE1 PHE A 80 12.830 7.828 2.273 1.00 35.11 C ATOM 1357 CE2 PHE A 80 12.256 5.789 3.390 1.00 15.33 C ATOM 1358 CZ PHE A 80 12.305 6.550 2.237 1.00 13.43 C ATOM 0 H PHE A 80 12.751 10.278 5.180 1.00 5.05 H new ATOM 0 HA PHE A 80 11.897 8.274 7.020 1.00 12.35 H new ATOM 0 HB2 PHE A 80 14.626 8.843 5.746 1.00 41.22 H new ATOM 0 HB3 PHE A 80 14.203 7.352 6.563 1.00 41.22 H new ATOM 0 HD1 PHE A 80 13.714 9.347 3.484 1.00 4.44 H new ATOM 0 HD2 PHE A 80 12.687 5.704 5.479 1.00 62.15 H new ATOM 0 HE1 PHE A 80 12.869 8.422 1.372 1.00 35.11 H new ATOM 0 HE2 PHE A 80 11.847 4.790 3.360 1.00 15.33 H new ATOM 0 HZ PHE A 80 11.933 6.146 1.307 1.00 13.43 H new ATOM 1368 N LYS A 81 13.579 10.676 8.338 1.00 51.14 N ATOM 1369 CA LYS A 81 14.023 11.296 9.612 1.00 22.11 C ATOM 1370 C LYS A 81 13.067 10.993 10.797 1.00 62.01 C ATOM 1371 O LYS A 81 13.507 10.903 11.948 1.00 63.41 O ATOM 1372 CB LYS A 81 14.159 12.838 9.433 1.00 74.14 C ATOM 1373 CG LYS A 81 12.880 13.536 8.899 1.00 24.22 C ATOM 1374 CD LYS A 81 12.960 15.092 8.884 1.00 51.31 C ATOM 1375 CE LYS A 81 12.892 15.741 10.293 1.00 44.10 C ATOM 1376 NZ LYS A 81 14.158 15.618 11.065 1.00 5.54 N ATOM 0 H LYS A 81 13.459 11.352 7.584 1.00 51.14 H new ATOM 0 HA LYS A 81 14.990 10.856 9.857 1.00 22.11 H new ATOM 0 HB2 LYS A 81 14.426 13.281 10.392 1.00 74.14 H new ATOM 0 HB3 LYS A 81 14.982 13.041 8.748 1.00 74.14 H new ATOM 0 HG2 LYS A 81 12.683 13.184 7.886 1.00 24.22 H new ATOM 0 HG3 LYS A 81 12.031 13.233 9.512 1.00 24.22 H new ATOM 0 HD2 LYS A 81 13.889 15.393 8.401 1.00 51.31 H new ATOM 0 HD3 LYS A 81 12.144 15.482 8.276 1.00 51.31 H new ATOM 0 HE2 LYS A 81 12.642 16.797 10.186 1.00 44.10 H new ATOM 0 HE3 LYS A 81 12.084 15.278 10.859 1.00 44.10 H new ATOM 0 HZ1 LYS A 81 14.375 16.526 11.522 1.00 5.54 H new ATOM 0 HZ2 LYS A 81 14.051 14.881 11.791 1.00 5.54 H new ATOM 0 HZ3 LYS A 81 14.933 15.360 10.422 1.00 5.54 H new ATOM 1390 N THR A 82 11.759 10.865 10.513 1.00 31.44 N ATOM 1391 CA THR A 82 10.745 10.551 11.546 1.00 33.12 C ATOM 1392 C THR A 82 10.527 9.031 11.633 1.00 41.54 C ATOM 1393 O THR A 82 10.669 8.432 12.698 1.00 4.05 O ATOM 1394 CB THR A 82 9.380 11.248 11.252 1.00 1.41 C ATOM 1395 OG1 THR A 82 9.588 12.652 11.055 1.00 43.43 O ATOM 1396 CG2 THR A 82 8.366 11.047 12.397 1.00 21.02 C ATOM 0 H THR A 82 11.374 10.974 9.575 1.00 31.44 H new ATOM 0 HA THR A 82 11.125 10.928 12.495 1.00 33.12 H new ATOM 0 HB THR A 82 8.969 10.791 10.352 1.00 1.41 H new ATOM 0 HG1 THR A 82 8.730 13.087 10.869 1.00 43.43 H new ATOM 0 HG21 THR A 82 7.431 11.550 12.148 1.00 21.02 H new ATOM 0 HG22 THR A 82 8.180 9.982 12.535 1.00 21.02 H new ATOM 0 HG23 THR A 82 8.769 11.467 13.318 1.00 21.02 H new ATOM 1404 N SER A 83 10.165 8.418 10.487 1.00 25.34 N ATOM 1405 CA SER A 83 9.957 6.953 10.381 1.00 31.53 C ATOM 1406 C SER A 83 11.130 6.288 9.633 1.00 43.31 C ATOM 1407 O SER A 83 11.192 6.361 8.395 1.00 4.02 O ATOM 1408 CB SER A 83 8.617 6.643 9.674 1.00 42.43 C ATOM 1409 OG SER A 83 7.524 7.013 10.482 1.00 53.44 O ATOM 0 H SER A 83 10.009 8.918 9.612 1.00 25.34 H new ATOM 0 HA SER A 83 9.917 6.541 11.389 1.00 31.53 H new ATOM 0 HB2 SER A 83 8.570 7.177 8.725 1.00 42.43 H new ATOM 0 HB3 SER A 83 8.560 5.579 9.444 1.00 42.43 H new ATOM 0 HG SER A 83 7.094 6.208 10.839 1.00 53.44 H new ATOM 1415 N PRO A 84 12.098 5.645 10.370 1.00 25.33 N ATOM 1416 CA PRO A 84 13.220 4.908 9.737 1.00 33.24 C ATOM 1417 C PRO A 84 12.723 3.658 8.972 1.00 51.22 C ATOM 1418 O PRO A 84 11.756 2.999 9.394 1.00 40.15 O ATOM 1419 CB PRO A 84 14.133 4.532 10.937 1.00 3.03 C ATOM 1420 CG PRO A 84 13.206 4.499 12.118 1.00 12.10 C ATOM 1421 CD PRO A 84 12.180 5.587 11.860 1.00 44.33 C ATOM 0 HA PRO A 84 13.743 5.499 8.985 1.00 33.24 H new ATOM 0 HB2 PRO A 84 14.614 3.566 10.783 1.00 3.03 H new ATOM 0 HB3 PRO A 84 14.928 5.265 11.076 1.00 3.03 H new ATOM 0 HG2 PRO A 84 12.728 3.524 12.214 1.00 12.10 H new ATOM 0 HG3 PRO A 84 13.747 4.682 13.046 1.00 12.10 H new ATOM 0 HD2 PRO A 84 11.216 5.343 12.306 1.00 44.33 H new ATOM 0 HD3 PRO A 84 12.493 6.542 12.282 1.00 44.33 H new ATOM 1429 N LEU A 85 13.373 3.352 7.838 1.00 10.54 N ATOM 1430 CA LEU A 85 12.968 2.240 6.970 1.00 30.10 C ATOM 1431 C LEU A 85 13.454 0.882 7.555 1.00 22.44 C ATOM 1432 O LEU A 85 14.665 0.683 7.703 1.00 1.41 O ATOM 1433 CB LEU A 85 13.527 2.449 5.541 1.00 1.44 C ATOM 1434 CG LEU A 85 13.003 1.445 4.475 1.00 30.50 C ATOM 1435 CD1 LEU A 85 11.473 1.599 4.286 1.00 64.23 C ATOM 1436 CD2 LEU A 85 13.765 1.590 3.137 1.00 53.44 C ATOM 0 H LEU A 85 14.187 3.865 7.501 1.00 10.54 H new ATOM 0 HA LEU A 85 11.879 2.217 6.919 1.00 30.10 H new ATOM 0 HB2 LEU A 85 13.283 3.460 5.216 1.00 1.44 H new ATOM 0 HB3 LEU A 85 14.614 2.380 5.579 1.00 1.44 H new ATOM 0 HG LEU A 85 13.193 0.435 4.838 1.00 30.50 H new ATOM 0 HD11 LEU A 85 11.126 0.888 3.536 1.00 64.23 H new ATOM 0 HD12 LEU A 85 10.968 1.404 5.232 1.00 64.23 H new ATOM 0 HD13 LEU A 85 11.247 2.613 3.956 1.00 64.23 H new ATOM 0 HD21 LEU A 85 13.373 0.873 2.415 1.00 53.44 H new ATOM 0 HD22 LEU A 85 13.634 2.601 2.752 1.00 53.44 H new ATOM 0 HD23 LEU A 85 14.826 1.398 3.300 1.00 53.44 H new ATOM 1448 N PRO A 86 12.519 -0.069 7.898 1.00 63.13 N ATOM 1449 CA PRO A 86 12.878 -1.401 8.450 1.00 15.14 C ATOM 1450 C PRO A 86 13.415 -2.378 7.371 1.00 21.52 C ATOM 1451 O PRO A 86 13.273 -2.134 6.164 1.00 25.31 O ATOM 1452 CB PRO A 86 11.532 -1.918 9.064 1.00 22.44 C ATOM 1453 CG PRO A 86 10.572 -0.764 8.962 1.00 62.11 C ATOM 1454 CD PRO A 86 11.049 0.059 7.791 1.00 32.33 C ATOM 0 HA PRO A 86 13.689 -1.333 9.176 1.00 15.14 H new ATOM 0 HB2 PRO A 86 11.161 -2.786 8.520 1.00 22.44 H new ATOM 0 HB3 PRO A 86 11.667 -2.226 10.101 1.00 22.44 H new ATOM 0 HG2 PRO A 86 9.552 -1.115 8.805 1.00 62.11 H new ATOM 0 HG3 PRO A 86 10.568 -0.175 9.879 1.00 62.11 H new ATOM 0 HD2 PRO A 86 10.675 -0.327 6.843 1.00 32.33 H new ATOM 0 HD3 PRO A 86 10.724 1.097 7.863 1.00 32.33 H new ATOM 1462 N ASP A 87 14.012 -3.493 7.839 1.00 25.34 N ATOM 1463 CA ASP A 87 14.531 -4.585 6.977 1.00 1.20 C ATOM 1464 C ASP A 87 13.431 -5.186 6.065 1.00 74.04 C ATOM 1465 O ASP A 87 13.686 -5.524 4.900 1.00 12.45 O ATOM 1466 CB ASP A 87 15.150 -5.699 7.862 1.00 64.30 C ATOM 1467 CG ASP A 87 16.381 -5.221 8.647 1.00 43.21 C ATOM 1468 OD1 ASP A 87 16.211 -4.571 9.698 1.00 14.13 O ATOM 1469 OD2 ASP A 87 17.523 -5.481 8.209 1.00 20.52 O ATOM 0 H ASP A 87 14.151 -3.666 8.835 1.00 25.34 H new ATOM 0 HA ASP A 87 15.294 -4.157 6.327 1.00 1.20 H new ATOM 0 HB2 ASP A 87 14.397 -6.061 8.562 1.00 64.30 H new ATOM 0 HB3 ASP A 87 15.432 -6.543 7.232 1.00 64.30 H new ATOM 1474 N LYS A 88 12.207 -5.282 6.617 1.00 14.30 N ATOM 1475 CA LYS A 88 11.028 -5.850 5.924 1.00 45.20 C ATOM 1476 C LYS A 88 10.622 -5.060 4.652 1.00 51.34 C ATOM 1477 O LYS A 88 9.984 -5.625 3.764 1.00 32.10 O ATOM 1478 CB LYS A 88 9.829 -5.935 6.905 1.00 62.30 C ATOM 1479 CG LYS A 88 9.368 -4.574 7.478 1.00 12.53 C ATOM 1480 CD LYS A 88 8.206 -4.695 8.490 1.00 40.32 C ATOM 1481 CE LYS A 88 6.913 -5.254 7.868 1.00 33.14 C ATOM 1482 NZ LYS A 88 5.813 -5.319 8.856 1.00 41.22 N ATOM 0 H LYS A 88 12.003 -4.966 7.565 1.00 14.30 H new ATOM 0 HA LYS A 88 11.312 -6.848 5.590 1.00 45.20 H new ATOM 0 HB2 LYS A 88 8.988 -6.401 6.391 1.00 62.30 H new ATOM 0 HB3 LYS A 88 10.100 -6.590 7.733 1.00 62.30 H new ATOM 0 HG2 LYS A 88 10.214 -4.088 7.964 1.00 12.53 H new ATOM 0 HG3 LYS A 88 9.058 -3.928 6.656 1.00 12.53 H new ATOM 0 HD2 LYS A 88 8.515 -5.341 9.312 1.00 40.32 H new ATOM 0 HD3 LYS A 88 8.001 -3.713 8.916 1.00 40.32 H new ATOM 0 HE2 LYS A 88 6.612 -4.626 7.029 1.00 33.14 H new ATOM 0 HE3 LYS A 88 7.103 -6.250 7.469 1.00 33.14 H new ATOM 0 HZ1 LYS A 88 4.929 -4.998 8.413 1.00 41.22 H new ATOM 0 HZ2 LYS A 88 5.700 -6.299 9.185 1.00 41.22 H new ATOM 0 HZ3 LYS A 88 6.037 -4.705 9.665 1.00 41.22 H new ATOM 1496 N TRP A 89 10.964 -3.748 4.583 1.00 1.03 N ATOM 1497 CA TRP A 89 10.660 -2.898 3.398 1.00 34.13 C ATOM 1498 C TRP A 89 11.935 -2.458 2.645 1.00 24.34 C ATOM 1499 O TRP A 89 11.838 -1.923 1.540 1.00 42.22 O ATOM 1500 CB TRP A 89 9.824 -1.655 3.810 1.00 13.32 C ATOM 1501 CG TRP A 89 8.509 -1.998 4.485 1.00 13.51 C ATOM 1502 CD1 TRP A 89 8.120 -1.666 5.755 1.00 53.50 C ATOM 1503 CD2 TRP A 89 7.426 -2.770 3.930 1.00 12.42 C ATOM 1504 NE1 TRP A 89 6.877 -2.180 6.015 1.00 24.01 N ATOM 1505 CE2 TRP A 89 6.431 -2.859 4.916 1.00 3.32 C ATOM 1506 CE3 TRP A 89 7.204 -3.394 2.694 1.00 40.11 C ATOM 1507 CZ2 TRP A 89 5.241 -3.552 4.712 1.00 2.12 C ATOM 1508 CZ3 TRP A 89 6.020 -4.076 2.490 1.00 53.34 C ATOM 1509 CH2 TRP A 89 5.051 -4.151 3.496 1.00 61.12 C ATOM 0 H TRP A 89 11.450 -3.254 5.332 1.00 1.03 H new ATOM 0 HA TRP A 89 10.074 -3.512 2.714 1.00 34.13 H new ATOM 0 HB2 TRP A 89 10.417 -1.037 4.484 1.00 13.32 H new ATOM 0 HB3 TRP A 89 9.621 -1.055 2.923 1.00 13.32 H new ATOM 0 HD1 TRP A 89 8.707 -1.084 6.450 1.00 53.50 H new ATOM 0 HE1 TRP A 89 6.365 -2.073 6.891 1.00 24.01 H new ATOM 0 HE3 TRP A 89 7.948 -3.342 1.913 1.00 40.11 H new ATOM 0 HZ2 TRP A 89 4.492 -3.615 5.488 1.00 2.12 H new ATOM 0 HZ3 TRP A 89 5.840 -4.558 1.540 1.00 53.34 H new ATOM 0 HH2 TRP A 89 4.135 -4.692 3.310 1.00 61.12 H new ATOM 1520 N ALA A 90 13.116 -2.708 3.242 1.00 11.32 N ATOM 1521 CA ALA A 90 14.426 -2.320 2.653 1.00 31.20 C ATOM 1522 C ALA A 90 14.694 -2.995 1.286 1.00 71.21 C ATOM 1523 O ALA A 90 15.350 -2.416 0.415 1.00 52.41 O ATOM 1524 CB ALA A 90 15.562 -2.645 3.635 1.00 4.42 C ATOM 0 H ALA A 90 13.196 -3.182 4.142 1.00 11.32 H new ATOM 0 HA ALA A 90 14.388 -1.246 2.473 1.00 31.20 H new ATOM 0 HB1 ALA A 90 16.517 -2.357 3.195 1.00 4.42 H new ATOM 0 HB2 ALA A 90 15.410 -2.094 4.563 1.00 4.42 H new ATOM 0 HB3 ALA A 90 15.567 -3.715 3.845 1.00 4.42 H new ATOM 1530 N ASN A 91 14.187 -4.233 1.110 1.00 71.41 N ATOM 1531 CA ASN A 91 14.385 -5.029 -0.135 1.00 14.33 C ATOM 1532 C ASN A 91 13.051 -5.262 -0.895 1.00 23.12 C ATOM 1533 O ASN A 91 13.017 -6.013 -1.876 1.00 12.30 O ATOM 1534 CB ASN A 91 15.048 -6.387 0.216 1.00 73.51 C ATOM 1535 CG ASN A 91 16.314 -6.229 1.057 1.00 73.53 C ATOM 1536 OD1 ASN A 91 16.282 -6.327 2.277 1.00 3.34 O ATOM 1537 ND2 ASN A 91 17.426 -5.932 0.421 1.00 73.22 N ATOM 0 H ASN A 91 13.631 -4.713 1.818 1.00 71.41 H new ATOM 0 HA ASN A 91 15.038 -4.460 -0.797 1.00 14.33 H new ATOM 0 HB2 ASN A 91 14.333 -7.006 0.758 1.00 73.51 H new ATOM 0 HB3 ASN A 91 15.293 -6.915 -0.705 1.00 73.51 H new ATOM 0 HD21 ASN A 91 18.287 -5.778 0.945 1.00 73.22 H new ATOM 0 HD22 ASN A 91 17.427 -5.856 -0.596 1.00 73.22 H new ATOM 1544 N SER A 92 11.961 -4.613 -0.440 1.00 52.22 N ATOM 1545 CA SER A 92 10.603 -4.822 -1.005 1.00 3.22 C ATOM 1546 C SER A 92 10.347 -3.961 -2.263 1.00 33.23 C ATOM 1547 O SER A 92 10.561 -2.741 -2.262 1.00 15.31 O ATOM 1548 CB SER A 92 9.514 -4.533 0.055 1.00 55.12 C ATOM 1549 OG SER A 92 9.569 -5.476 1.112 1.00 23.13 O ATOM 0 H SER A 92 11.990 -3.935 0.321 1.00 52.22 H new ATOM 0 HA SER A 92 10.550 -5.869 -1.303 1.00 3.22 H new ATOM 0 HB2 SER A 92 9.647 -3.527 0.453 1.00 55.12 H new ATOM 0 HB3 SER A 92 8.530 -4.563 -0.412 1.00 55.12 H new ATOM 0 HG SER A 92 9.039 -5.150 1.869 1.00 23.13 H new ATOM 1555 N LYS A 93 9.854 -4.627 -3.323 1.00 62.24 N ATOM 1556 CA LYS A 93 9.435 -3.982 -4.585 1.00 71.41 C ATOM 1557 C LYS A 93 8.208 -3.061 -4.364 1.00 63.10 C ATOM 1558 O LYS A 93 8.137 -1.975 -4.935 1.00 41.14 O ATOM 1559 CB LYS A 93 9.111 -5.078 -5.634 1.00 74.12 C ATOM 1560 CG LYS A 93 8.591 -4.563 -6.996 1.00 32.43 C ATOM 1561 CD LYS A 93 8.277 -5.714 -7.978 1.00 71.45 C ATOM 1562 CE LYS A 93 7.701 -5.207 -9.308 1.00 21.23 C ATOM 1563 NZ LYS A 93 8.620 -4.269 -10.011 1.00 31.03 N ATOM 0 H LYS A 93 9.733 -5.640 -3.329 1.00 62.24 H new ATOM 0 HA LYS A 93 10.251 -3.358 -4.949 1.00 71.41 H new ATOM 0 HB2 LYS A 93 10.011 -5.667 -5.808 1.00 74.12 H new ATOM 0 HB3 LYS A 93 8.366 -5.752 -5.211 1.00 74.12 H new ATOM 0 HG2 LYS A 93 7.691 -3.968 -6.837 1.00 32.43 H new ATOM 0 HG3 LYS A 93 9.336 -3.902 -7.440 1.00 32.43 H new ATOM 0 HD2 LYS A 93 9.187 -6.281 -8.172 1.00 71.45 H new ATOM 0 HD3 LYS A 93 7.567 -6.399 -7.515 1.00 71.45 H new ATOM 0 HE2 LYS A 93 7.491 -6.058 -9.956 1.00 21.23 H new ATOM 0 HE3 LYS A 93 6.751 -4.707 -9.121 1.00 21.23 H new ATOM 0 HZ1 LYS A 93 8.222 -4.024 -10.940 1.00 31.03 H new ATOM 0 HZ2 LYS A 93 8.734 -3.405 -9.444 1.00 31.03 H new ATOM 0 HZ3 LYS A 93 9.547 -4.723 -10.141 1.00 31.03 H new ATOM 1577 N LEU A 94 7.269 -3.514 -3.503 1.00 73.14 N ATOM 1578 CA LEU A 94 6.024 -2.776 -3.153 1.00 43.32 C ATOM 1579 C LEU A 94 6.288 -1.316 -2.696 1.00 42.31 C ATOM 1580 O LEU A 94 5.546 -0.394 -3.054 1.00 21.44 O ATOM 1581 CB LEU A 94 5.286 -3.527 -2.024 1.00 75.22 C ATOM 1582 CG LEU A 94 3.934 -2.911 -1.556 1.00 0.31 C ATOM 1583 CD1 LEU A 94 2.864 -2.976 -2.669 1.00 63.14 C ATOM 1584 CD2 LEU A 94 3.448 -3.575 -0.256 1.00 22.54 C ATOM 0 H LEU A 94 7.351 -4.411 -3.024 1.00 73.14 H new ATOM 0 HA LEU A 94 5.419 -2.728 -4.059 1.00 43.32 H new ATOM 0 HB2 LEU A 94 5.100 -4.548 -2.357 1.00 75.22 H new ATOM 0 HB3 LEU A 94 5.951 -3.589 -1.162 1.00 75.22 H new ATOM 0 HG LEU A 94 4.104 -1.856 -1.343 1.00 0.31 H new ATOM 0 HD11 LEU A 94 1.935 -2.537 -2.306 1.00 63.14 H new ATOM 0 HD12 LEU A 94 3.211 -2.421 -3.540 1.00 63.14 H new ATOM 0 HD13 LEU A 94 2.690 -4.016 -2.947 1.00 63.14 H new ATOM 0 HD21 LEU A 94 2.502 -3.127 0.050 1.00 22.54 H new ATOM 0 HD22 LEU A 94 3.307 -4.643 -0.424 1.00 22.54 H new ATOM 0 HD23 LEU A 94 4.190 -3.426 0.528 1.00 22.54 H new ATOM 1596 N LEU A 95 7.345 -1.137 -1.889 1.00 15.12 N ATOM 1597 CA LEU A 95 7.778 0.188 -1.402 1.00 30.00 C ATOM 1598 C LEU A 95 8.171 1.123 -2.574 1.00 5.12 C ATOM 1599 O LEU A 95 7.807 2.299 -2.597 1.00 64.13 O ATOM 1600 CB LEU A 95 8.979 0.027 -0.442 1.00 70.42 C ATOM 1601 CG LEU A 95 9.535 1.359 0.147 1.00 22.15 C ATOM 1602 CD1 LEU A 95 8.517 2.017 1.102 1.00 64.12 C ATOM 1603 CD2 LEU A 95 10.904 1.151 0.816 1.00 74.43 C ATOM 0 H LEU A 95 7.926 -1.905 -1.554 1.00 15.12 H new ATOM 0 HA LEU A 95 6.939 0.641 -0.873 1.00 30.00 H new ATOM 0 HB2 LEU A 95 8.681 -0.621 0.382 1.00 70.42 H new ATOM 0 HB3 LEU A 95 9.784 -0.482 -0.973 1.00 70.42 H new ATOM 0 HG LEU A 95 9.690 2.050 -0.682 1.00 22.15 H new ATOM 0 HD11 LEU A 95 8.934 2.944 1.496 1.00 64.12 H new ATOM 0 HD12 LEU A 95 7.597 2.235 0.559 1.00 64.12 H new ATOM 0 HD13 LEU A 95 8.299 1.338 1.926 1.00 64.12 H new ATOM 0 HD21 LEU A 95 11.262 2.100 1.216 1.00 74.43 H new ATOM 0 HD22 LEU A 95 10.807 0.429 1.627 1.00 74.43 H new ATOM 0 HD23 LEU A 95 11.615 0.776 0.080 1.00 74.43 H new ATOM 1615 N LYS A 96 8.910 0.559 -3.540 1.00 73.51 N ATOM 1616 CA LYS A 96 9.401 1.288 -4.736 1.00 44.12 C ATOM 1617 C LYS A 96 8.224 1.674 -5.664 1.00 33.33 C ATOM 1618 O LYS A 96 8.242 2.733 -6.299 1.00 2.55 O ATOM 1619 CB LYS A 96 10.437 0.404 -5.484 1.00 70.40 C ATOM 1620 CG LYS A 96 11.560 -0.138 -4.565 1.00 63.42 C ATOM 1621 CD LYS A 96 12.572 -1.044 -5.304 1.00 55.44 C ATOM 1622 CE LYS A 96 13.620 -1.652 -4.349 1.00 54.41 C ATOM 1623 NZ LYS A 96 14.660 -2.427 -5.074 1.00 52.44 N ATOM 0 H LYS A 96 9.190 -0.422 -3.521 1.00 73.51 H new ATOM 0 HA LYS A 96 9.885 2.213 -4.422 1.00 44.12 H new ATOM 0 HB2 LYS A 96 9.920 -0.436 -5.947 1.00 70.40 H new ATOM 0 HB3 LYS A 96 10.886 0.985 -6.289 1.00 70.40 H new ATOM 0 HG2 LYS A 96 12.093 0.702 -4.120 1.00 63.42 H new ATOM 0 HG3 LYS A 96 11.110 -0.700 -3.746 1.00 63.42 H new ATOM 0 HD2 LYS A 96 12.036 -1.847 -5.810 1.00 55.44 H new ATOM 0 HD3 LYS A 96 13.079 -0.464 -6.075 1.00 55.44 H new ATOM 0 HE2 LYS A 96 14.096 -0.854 -3.779 1.00 54.41 H new ATOM 0 HE3 LYS A 96 13.120 -2.302 -3.631 1.00 54.41 H new ATOM 0 HZ1 LYS A 96 15.342 -2.816 -4.392 1.00 52.44 H new ATOM 0 HZ2 LYS A 96 14.211 -3.206 -5.597 1.00 52.44 H new ATOM 0 HZ3 LYS A 96 15.156 -1.802 -5.741 1.00 52.44 H new ATOM 1637 N GLN A 97 7.199 0.793 -5.706 1.00 44.03 N ATOM 1638 CA GLN A 97 5.912 1.054 -6.389 1.00 3.44 C ATOM 1639 C GLN A 97 5.166 2.248 -5.737 1.00 60.44 C ATOM 1640 O GLN A 97 4.564 3.077 -6.419 1.00 21.34 O ATOM 1641 CB GLN A 97 4.993 -0.206 -6.324 1.00 5.03 C ATOM 1642 CG GLN A 97 5.562 -1.523 -6.901 1.00 20.02 C ATOM 1643 CD GLN A 97 5.763 -1.544 -8.422 1.00 63.13 C ATOM 1644 OE1 GLN A 97 6.103 -0.551 -9.045 1.00 2.12 O ATOM 1645 NE2 GLN A 97 5.539 -2.688 -9.042 1.00 34.35 N ATOM 0 H GLN A 97 7.242 -0.125 -5.264 1.00 44.03 H new ATOM 0 HA GLN A 97 6.137 1.295 -7.428 1.00 3.44 H new ATOM 0 HB2 GLN A 97 4.730 -0.380 -5.281 1.00 5.03 H new ATOM 0 HB3 GLN A 97 4.067 0.023 -6.852 1.00 5.03 H new ATOM 0 HG2 GLN A 97 6.520 -1.725 -6.422 1.00 20.02 H new ATOM 0 HG3 GLN A 97 4.892 -2.338 -6.629 1.00 20.02 H new ATOM 0 HE21 GLN A 97 5.255 -3.510 -8.509 1.00 34.35 H new ATOM 0 HE22 GLN A 97 5.650 -2.750 -10.054 1.00 34.35 H new ATOM 1654 N LEU A 98 5.204 2.295 -4.397 1.00 11.33 N ATOM 1655 CA LEU A 98 4.503 3.321 -3.595 1.00 43.12 C ATOM 1656 C LEU A 98 5.207 4.701 -3.687 1.00 23.42 C ATOM 1657 O LEU A 98 4.554 5.742 -3.632 1.00 41.43 O ATOM 1658 CB LEU A 98 4.404 2.839 -2.119 1.00 10.11 C ATOM 1659 CG LEU A 98 3.545 3.720 -1.157 1.00 11.53 C ATOM 1660 CD1 LEU A 98 2.085 3.842 -1.652 1.00 72.32 C ATOM 1661 CD2 LEU A 98 3.610 3.183 0.292 1.00 71.33 C ATOM 0 H LEU A 98 5.723 1.622 -3.833 1.00 11.33 H new ATOM 0 HA LEU A 98 3.499 3.454 -3.998 1.00 43.12 H new ATOM 0 HB2 LEU A 98 3.993 1.829 -2.116 1.00 10.11 H new ATOM 0 HB3 LEU A 98 5.413 2.773 -1.713 1.00 10.11 H new ATOM 0 HG LEU A 98 3.970 4.724 -1.158 1.00 11.53 H new ATOM 0 HD11 LEU A 98 1.516 4.462 -0.959 1.00 72.32 H new ATOM 0 HD12 LEU A 98 2.073 4.300 -2.641 1.00 72.32 H new ATOM 0 HD13 LEU A 98 1.635 2.851 -1.706 1.00 72.32 H new ATOM 0 HD21 LEU A 98 3.004 3.814 0.942 1.00 71.33 H new ATOM 0 HD22 LEU A 98 3.229 2.162 0.319 1.00 71.33 H new ATOM 0 HD23 LEU A 98 4.644 3.194 0.638 1.00 71.33 H new ATOM 1673 N GLN A 99 6.546 4.681 -3.815 1.00 25.35 N ATOM 1674 CA GLN A 99 7.368 5.904 -3.988 1.00 4.24 C ATOM 1675 C GLN A 99 7.206 6.536 -5.394 1.00 13.33 C ATOM 1676 O GLN A 99 7.103 7.764 -5.508 1.00 11.23 O ATOM 1677 CB GLN A 99 8.859 5.599 -3.676 1.00 22.52 C ATOM 1678 CG GLN A 99 9.137 5.352 -2.176 1.00 33.55 C ATOM 1679 CD GLN A 99 10.601 5.062 -1.839 1.00 73.11 C ATOM 1680 OE1 GLN A 99 11.520 5.470 -2.546 1.00 73.00 O ATOM 1681 NE2 GLN A 99 10.830 4.405 -0.719 1.00 62.34 N ATOM 0 H GLN A 99 7.093 3.820 -3.802 1.00 25.35 H new ATOM 0 HA GLN A 99 7.004 6.644 -3.276 1.00 4.24 H new ATOM 0 HB2 GLN A 99 9.169 4.722 -4.244 1.00 22.52 H new ATOM 0 HB3 GLN A 99 9.472 6.433 -4.018 1.00 22.52 H new ATOM 0 HG2 GLN A 99 8.814 6.227 -1.611 1.00 33.55 H new ATOM 0 HG3 GLN A 99 8.527 4.513 -1.840 1.00 33.55 H new ATOM 0 HE21 GLN A 99 10.049 4.077 -0.151 1.00 62.34 H new ATOM 0 HE22 GLN A 99 11.788 4.224 -0.421 1.00 62.34 H new ATOM 1690 N GLU A 100 7.178 5.704 -6.462 1.00 30.21 N ATOM 1691 CA GLU A 100 6.933 6.210 -7.842 1.00 61.33 C ATOM 1692 C GLU A 100 5.476 6.722 -7.984 1.00 31.21 C ATOM 1693 O GLU A 100 5.213 7.666 -8.738 1.00 54.23 O ATOM 1694 CB GLU A 100 7.239 5.135 -8.920 1.00 12.22 C ATOM 1695 CG GLU A 100 6.344 3.883 -8.864 1.00 60.10 C ATOM 1696 CD GLU A 100 6.512 2.953 -10.072 1.00 22.33 C ATOM 1697 OE1 GLU A 100 7.474 2.157 -10.099 1.00 13.50 O ATOM 1698 OE2 GLU A 100 5.690 3.026 -11.011 1.00 52.44 O ATOM 0 H GLU A 100 7.319 4.696 -6.402 1.00 30.21 H new ATOM 0 HA GLU A 100 7.618 7.041 -8.008 1.00 61.33 H new ATOM 0 HB2 GLU A 100 7.139 5.591 -9.905 1.00 12.22 H new ATOM 0 HB3 GLU A 100 8.279 4.825 -8.817 1.00 12.22 H new ATOM 0 HG2 GLU A 100 6.568 3.327 -7.954 1.00 60.10 H new ATOM 0 HG3 GLU A 100 5.302 4.195 -8.798 1.00 60.10 H new ATOM 1705 N PHE A 101 4.544 6.077 -7.244 1.00 40.11 N ATOM 1706 CA PHE A 101 3.148 6.534 -7.126 1.00 61.11 C ATOM 1707 C PHE A 101 3.072 7.888 -6.388 1.00 55.41 C ATOM 1708 O PHE A 101 2.401 8.798 -6.850 1.00 4.22 O ATOM 1709 CB PHE A 101 2.269 5.474 -6.405 1.00 21.22 C ATOM 1710 CG PHE A 101 0.811 5.907 -6.217 1.00 44.31 C ATOM 1711 CD1 PHE A 101 -0.096 5.855 -7.275 1.00 43.12 C ATOM 1712 CD2 PHE A 101 0.361 6.416 -4.994 1.00 31.21 C ATOM 1713 CE1 PHE A 101 -1.398 6.288 -7.115 1.00 32.44 C ATOM 1714 CE2 PHE A 101 -0.938 6.856 -4.843 1.00 73.25 C ATOM 1715 CZ PHE A 101 -1.817 6.793 -5.902 1.00 31.21 C ATOM 0 H PHE A 101 4.742 5.228 -6.715 1.00 40.11 H new ATOM 0 HA PHE A 101 2.759 6.669 -8.135 1.00 61.11 H new ATOM 0 HB2 PHE A 101 2.292 4.546 -6.977 1.00 21.22 H new ATOM 0 HB3 PHE A 101 2.703 5.258 -5.429 1.00 21.22 H new ATOM 0 HD1 PHE A 101 0.224 5.471 -8.232 1.00 43.12 H new ATOM 0 HD2 PHE A 101 1.040 6.465 -4.156 1.00 31.21 H new ATOM 0 HE1 PHE A 101 -2.090 6.231 -7.942 1.00 32.44 H new ATOM 0 HE2 PHE A 101 -1.266 7.251 -3.893 1.00 73.25 H new ATOM 0 HZ PHE A 101 -2.833 7.139 -5.782 1.00 31.21 H new ATOM 1725 N SER A 102 3.789 8.013 -5.251 1.00 34.14 N ATOM 1726 CA SER A 102 3.803 9.255 -4.419 1.00 55.10 C ATOM 1727 C SER A 102 4.239 10.495 -5.249 1.00 40.03 C ATOM 1728 O SER A 102 3.906 11.638 -4.916 1.00 43.40 O ATOM 1729 CB SER A 102 4.729 9.066 -3.197 1.00 51.05 C ATOM 1730 OG SER A 102 4.702 10.192 -2.329 1.00 51.55 O ATOM 0 H SER A 102 4.374 7.266 -4.878 1.00 34.14 H new ATOM 0 HA SER A 102 2.787 9.436 -4.069 1.00 55.10 H new ATOM 0 HB2 SER A 102 4.425 8.176 -2.646 1.00 51.05 H new ATOM 0 HB3 SER A 102 5.750 8.896 -3.539 1.00 51.05 H new ATOM 0 HG SER A 102 5.299 10.033 -1.568 1.00 51.55 H new ATOM 1736 N GLU A 103 4.983 10.237 -6.341 1.00 52.52 N ATOM 1737 CA GLU A 103 5.264 11.241 -7.380 1.00 12.35 C ATOM 1738 C GLU A 103 4.044 11.396 -8.346 1.00 64.30 C ATOM 1739 O GLU A 103 3.299 12.375 -8.283 1.00 44.11 O ATOM 1740 CB GLU A 103 6.521 10.809 -8.185 1.00 60.42 C ATOM 1741 CG GLU A 103 7.808 10.578 -7.360 1.00 11.13 C ATOM 1742 CD GLU A 103 8.408 11.870 -6.772 1.00 5.44 C ATOM 1743 OE1 GLU A 103 9.089 12.612 -7.517 1.00 35.22 O ATOM 1744 OE2 GLU A 103 8.224 12.140 -5.565 1.00 74.35 O ATOM 0 H GLU A 103 5.405 9.327 -6.526 1.00 52.52 H new ATOM 0 HA GLU A 103 5.445 12.203 -6.900 1.00 12.35 H new ATOM 0 HB2 GLU A 103 6.287 9.889 -8.721 1.00 60.42 H new ATOM 0 HB3 GLU A 103 6.727 11.572 -8.936 1.00 60.42 H new ATOM 0 HG2 GLU A 103 7.588 9.887 -6.546 1.00 11.13 H new ATOM 0 HG3 GLU A 103 8.554 10.097 -7.993 1.00 11.13 H new ATOM 1751 N ASN A 104 3.798 10.351 -9.167 1.00 61.14 N ATOM 1752 CA ASN A 104 2.877 10.404 -10.344 1.00 22.14 C ATOM 1753 C ASN A 104 1.392 10.066 -9.996 1.00 34.34 C ATOM 1754 O ASN A 104 0.611 9.710 -10.894 1.00 71.55 O ATOM 1755 CB ASN A 104 3.408 9.422 -11.442 1.00 2.42 C ATOM 1756 CG ASN A 104 4.719 9.849 -12.140 1.00 41.31 C ATOM 1757 OD1 ASN A 104 5.605 10.553 -11.456 1.00 44.14 O flip ATOM 1758 ND2 ASN A 104 4.928 9.544 -13.312 1.00 3.43 N flip ATOM 0 H ASN A 104 4.232 9.437 -9.038 1.00 61.14 H new ATOM 0 HA ASN A 104 2.872 11.432 -10.705 1.00 22.14 H new ATOM 0 HB2 ASN A 104 3.562 8.444 -10.986 1.00 2.42 H new ATOM 0 HB3 ASN A 104 2.635 9.302 -12.201 1.00 2.42 H new ATOM 0 HD21 ASN A 104 4.237 9.001 -13.829 1.00 3.43 H new ATOM 0 HD22 ASN A 104 5.793 9.834 -13.768 1.00 3.43 H new ATOM 1765 N LYS A 105 1.003 10.211 -8.716 1.00 72.34 N ATOM 1766 CA LYS A 105 -0.378 9.916 -8.248 1.00 44.21 C ATOM 1767 C LYS A 105 -1.447 10.814 -8.897 1.00 54.32 C ATOM 1768 O LYS A 105 -2.541 10.346 -9.223 1.00 4.50 O ATOM 1769 CB LYS A 105 -0.477 9.988 -6.702 1.00 3.32 C ATOM 1770 CG LYS A 105 0.111 11.245 -6.031 1.00 15.12 C ATOM 1771 CD LYS A 105 0.148 11.090 -4.493 1.00 35.34 C ATOM 1772 CE LYS A 105 0.806 12.279 -3.785 1.00 75.03 C ATOM 1773 NZ LYS A 105 0.015 13.526 -3.931 1.00 70.35 N ATOM 0 H LYS A 105 1.627 10.533 -7.976 1.00 72.34 H new ATOM 0 HA LYS A 105 -0.588 8.896 -8.569 1.00 44.21 H new ATOM 0 HB2 LYS A 105 -1.528 9.914 -6.424 1.00 3.32 H new ATOM 0 HB3 LYS A 105 0.025 9.114 -6.287 1.00 3.32 H new ATOM 0 HG2 LYS A 105 1.119 11.423 -6.406 1.00 15.12 H new ATOM 0 HG3 LYS A 105 -0.487 12.117 -6.297 1.00 15.12 H new ATOM 0 HD2 LYS A 105 -0.870 10.971 -4.121 1.00 35.34 H new ATOM 0 HD3 LYS A 105 0.689 10.179 -4.239 1.00 35.34 H new ATOM 0 HE2 LYS A 105 0.926 12.048 -2.726 1.00 75.03 H new ATOM 0 HE3 LYS A 105 1.805 12.435 -4.192 1.00 75.03 H new ATOM 0 HZ1 LYS A 105 0.579 14.336 -3.603 1.00 70.35 H new ATOM 0 HZ2 LYS A 105 -0.237 13.662 -4.931 1.00 70.35 H new ATOM 0 HZ3 LYS A 105 -0.853 13.455 -3.362 1.00 70.35 H new ATOM 1787 N GLU A 106 -1.121 12.102 -9.077 1.00 64.24 N ATOM 1788 CA GLU A 106 -2.047 13.107 -9.638 1.00 34.54 C ATOM 1789 C GLU A 106 -1.376 13.844 -10.824 1.00 75.35 C ATOM 1790 O GLU A 106 -1.605 13.505 -11.991 1.00 41.40 O ATOM 1791 CB GLU A 106 -2.485 14.092 -8.501 1.00 52.43 C ATOM 1792 CG GLU A 106 -3.224 13.440 -7.302 1.00 74.11 C ATOM 1793 CD GLU A 106 -4.674 12.990 -7.610 1.00 53.43 C ATOM 1794 OE1 GLU A 106 -4.872 12.013 -8.366 1.00 23.32 O ATOM 1795 OE2 GLU A 106 -5.622 13.620 -7.095 1.00 2.20 O ATOM 0 H GLU A 106 -0.205 12.481 -8.838 1.00 64.24 H new ATOM 0 HA GLU A 106 -2.941 12.621 -10.028 1.00 34.54 H new ATOM 0 HB2 GLU A 106 -1.599 14.603 -8.125 1.00 52.43 H new ATOM 0 HB3 GLU A 106 -3.133 14.854 -8.934 1.00 52.43 H new ATOM 0 HG2 GLU A 106 -2.652 12.575 -6.966 1.00 74.11 H new ATOM 0 HG3 GLU A 106 -3.245 14.150 -6.475 1.00 74.11 H new ATOM 1802 N LYS A 107 -0.531 14.844 -10.505 1.00 11.31 N ATOM 1803 CA LYS A 107 0.188 15.670 -11.499 1.00 75.42 C ATOM 1804 C LYS A 107 1.373 16.419 -10.836 1.00 14.42 C ATOM 1805 O LYS A 107 1.729 17.546 -11.221 1.00 41.10 O ATOM 1806 CB LYS A 107 -0.791 16.671 -12.194 1.00 22.12 C ATOM 1807 CG LYS A 107 -1.545 17.688 -11.275 1.00 44.14 C ATOM 1808 CD LYS A 107 -2.833 17.113 -10.630 1.00 1.24 C ATOM 1809 CE LYS A 107 -3.871 16.631 -11.670 1.00 50.15 C ATOM 1810 NZ LYS A 107 -5.059 16.014 -11.032 1.00 24.24 N ATOM 0 H LYS A 107 -0.325 15.105 -9.541 1.00 11.31 H new ATOM 0 HA LYS A 107 0.595 15.010 -12.265 1.00 75.42 H new ATOM 0 HB2 LYS A 107 -0.225 17.238 -12.933 1.00 22.12 H new ATOM 0 HB3 LYS A 107 -1.536 16.091 -12.739 1.00 22.12 H new ATOM 0 HG2 LYS A 107 -0.871 18.019 -10.485 1.00 44.14 H new ATOM 0 HG3 LYS A 107 -1.806 18.569 -11.861 1.00 44.14 H new ATOM 0 HD2 LYS A 107 -2.566 16.280 -9.980 1.00 1.24 H new ATOM 0 HD3 LYS A 107 -3.288 17.877 -9.999 1.00 1.24 H new ATOM 0 HE2 LYS A 107 -4.187 17.475 -12.283 1.00 50.15 H new ATOM 0 HE3 LYS A 107 -3.404 15.908 -12.339 1.00 50.15 H new ATOM 0 HZ1 LYS A 107 -5.727 15.706 -11.767 1.00 24.24 H new ATOM 0 HZ2 LYS A 107 -4.762 15.192 -10.468 1.00 24.24 H new ATOM 0 HZ3 LYS A 107 -5.522 16.710 -10.413 1.00 24.24 H new ATOM 1824 N GLU A 108 2.028 15.743 -9.883 1.00 24.54 N ATOM 1825 CA GLU A 108 2.991 16.383 -8.958 1.00 15.01 C ATOM 1826 C GLU A 108 4.237 15.499 -8.714 1.00 74.53 C ATOM 1827 O GLU A 108 4.488 14.536 -9.446 1.00 11.51 O ATOM 1828 CB GLU A 108 2.244 16.692 -7.633 1.00 31.21 C ATOM 1829 CG GLU A 108 1.651 15.454 -6.934 1.00 25.21 C ATOM 1830 CD GLU A 108 0.667 15.822 -5.821 1.00 2.52 C ATOM 1831 OE1 GLU A 108 1.101 16.358 -4.779 1.00 42.50 O ATOM 1832 OE2 GLU A 108 -0.546 15.574 -5.980 1.00 65.31 O ATOM 0 H GLU A 108 1.911 14.742 -9.726 1.00 24.54 H new ATOM 0 HA GLU A 108 3.365 17.306 -9.401 1.00 15.01 H new ATOM 0 HB2 GLU A 108 2.933 17.186 -6.948 1.00 31.21 H new ATOM 0 HB3 GLU A 108 1.440 17.398 -7.840 1.00 31.21 H new ATOM 0 HG2 GLU A 108 1.143 14.833 -7.672 1.00 25.21 H new ATOM 0 HG3 GLU A 108 2.460 14.855 -6.516 1.00 25.21 H new ATOM 1839 N ILE A 109 5.051 15.883 -7.709 1.00 10.23 N ATOM 1840 CA ILE A 109 6.218 15.091 -7.242 1.00 71.41 C ATOM 1841 C ILE A 109 6.057 14.678 -5.759 1.00 60.15 C ATOM 1842 O ILE A 109 5.199 15.186 -5.028 1.00 41.21 O ATOM 1843 CB ILE A 109 7.576 15.874 -7.434 1.00 3.40 C ATOM 1844 CG1 ILE A 109 7.600 17.200 -6.597 1.00 25.52 C ATOM 1845 CG2 ILE A 109 7.845 16.147 -8.937 1.00 1.30 C ATOM 1846 CD1 ILE A 109 8.908 17.981 -6.666 1.00 33.22 C ATOM 0 H ILE A 109 4.921 16.754 -7.194 1.00 10.23 H new ATOM 0 HA ILE A 109 6.253 14.192 -7.858 1.00 71.41 H new ATOM 0 HB ILE A 109 8.381 15.243 -7.058 1.00 3.40 H new ATOM 0 HG12 ILE A 109 6.791 17.844 -6.941 1.00 25.52 H new ATOM 0 HG13 ILE A 109 7.393 16.958 -5.555 1.00 25.52 H new ATOM 0 HG21 ILE A 109 8.785 16.687 -9.046 1.00 1.30 H new ATOM 0 HG22 ILE A 109 7.906 15.200 -9.474 1.00 1.30 H new ATOM 0 HG23 ILE A 109 7.033 16.746 -9.349 1.00 1.30 H new ATOM 0 HD11 ILE A 109 8.827 18.881 -6.056 1.00 33.22 H new ATOM 0 HD12 ILE A 109 9.722 17.361 -6.292 1.00 33.22 H new ATOM 0 HD13 ILE A 109 9.111 18.261 -7.700 1.00 33.22 H new TER 1858 ILE A 109