USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 249 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 57 TYR OH : rot 180:sc= 0.0202 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.47 K(o=0.59,f=0.079) USER MOD Set 1.3: A 66 THR OG1 : rot -179:sc= 0.104 USER MOD Set 2.1: A 18 SER OG : rot -173:sc= 1.21 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= -0.0798 (180deg=-0.0798) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= -0.049 (180deg=-0.373) USER MOD Single : A 22 TYR OH : rot 160:sc= 1.26 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.4!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0829 K(o=-0.083,f=-2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.529 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -162:sc= 0.806 USER MOD Single : A 51 SER OG : rot 116:sc= -1.63! USER MOD Single : A 53 TYR OH : rot 155:sc= 0.338 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= -0.209 (180deg=-0.996) USER MOD Single : A 62 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -3.43! C(o=-3.4!,f=-2.7!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.409 K(o=0.41,f=-7.4!) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.035 (180deg=-0.353) USER MOD Single : A 71 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.02) USER MOD Single : A 72 ASN : amide:sc= 0.437 X(o=0.44,f=0.17) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -20:sc= 2.13 USER MOD Single : A 83 ASN : amide:sc= 0.237 K(o=0.24,f=-1.2) USER MOD Single : A 85 ASN : amide:sc= -0.0351 K(o=-0.035,f=1.1) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= 0.581 (180deg=0.205) USER MOD Single : A 90 THR OG1 : rot 63:sc= 1.26 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.118 K(o=0.12,f=-0.67) USER MOD Single : A 94 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 172:sc= 0 (180deg=-0.1) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= 0.00468 (180deg=-0.151) USER MOD Single : A 108 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-1.2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.230 -12.436 -2.728 1.00 0.00 N ATOM 2 CA GLY A 1 -7.540 -11.537 -3.862 1.00 0.00 C ATOM 3 C GLY A 1 -6.650 -10.277 -3.957 1.00 0.00 C ATOM 4 O GLY A 1 -6.186 -9.750 -2.948 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.875 -13.251 -2.745 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.248 -12.770 -2.808 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.348 -11.919 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.446 -12.101 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.581 -11.223 -3.784 1.00 0.00 H new ATOM 8 N SER A 2 -6.456 -9.807 -5.193 1.00 0.00 N ATOM 9 CA SER A 2 -5.580 -8.661 -5.549 1.00 0.00 C ATOM 10 C SER A 2 -4.142 -8.788 -5.009 1.00 0.00 C ATOM 11 O SER A 2 -3.701 -8.068 -4.114 1.00 0.00 O ATOM 12 CB SER A 2 -6.201 -7.316 -5.139 1.00 0.00 C ATOM 13 OG SER A 2 -7.411 -7.089 -5.868 1.00 0.00 O ATOM 0 H SER A 2 -6.914 -10.219 -6.006 1.00 0.00 H new ATOM 0 HA SER A 2 -5.503 -8.688 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.407 -7.313 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.495 -6.508 -5.330 1.00 0.00 H new ATOM 0 HG SER A 2 -7.799 -6.231 -5.598 1.00 0.00 H new ATOM 16 N MET A 3 -3.377 -9.622 -5.711 1.00 0.00 N ATOM 17 CA MET A 3 -1.994 -9.979 -5.330 1.00 0.00 C ATOM 18 C MET A 3 -1.267 -10.527 -6.567 1.00 0.00 C ATOM 19 O MET A 3 -1.620 -11.580 -7.097 1.00 0.00 O ATOM 20 CB MET A 3 -2.019 -11.004 -4.190 1.00 0.00 C ATOM 21 CG MET A 3 -0.673 -11.094 -3.466 1.00 0.00 C ATOM 22 SD MET A 3 -0.729 -12.186 -1.999 1.00 0.00 S ATOM 23 CE MET A 3 0.919 -11.948 -1.375 1.00 0.00 C ATOM 0 H MET A 3 -3.693 -10.077 -6.567 1.00 0.00 H new ATOM 0 HA MET A 3 -1.458 -9.100 -4.972 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.797 -10.732 -3.476 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.281 -11.984 -4.590 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.083 -11.463 -4.159 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.364 -10.095 -3.158 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.057 -12.546 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.642 -12.257 -2.130 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.070 -10.895 -1.138 1.00 0.00 H new ATOM 25 N GLU A 4 -0.304 -9.725 -7.023 1.00 0.00 N ATOM 26 CA GLU A 4 0.435 -9.884 -8.302 1.00 0.00 C ATOM 27 C GLU A 4 -0.502 -9.839 -9.534 1.00 0.00 C ATOM 28 O GLU A 4 -1.724 -9.886 -9.406 1.00 0.00 O ATOM 29 CB GLU A 4 1.255 -11.185 -8.288 1.00 0.00 C ATOM 30 CG GLU A 4 2.391 -11.190 -9.317 1.00 0.00 C ATOM 31 CD GLU A 4 2.822 -12.616 -9.660 1.00 0.00 C ATOM 32 OE1 GLU A 4 3.730 -13.123 -8.966 1.00 0.00 O ATOM 33 OE2 GLU A 4 2.243 -13.153 -10.629 1.00 0.00 O ATOM 0 H GLU A 4 0.005 -8.907 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 4 1.115 -9.037 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.674 -11.333 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.592 -12.028 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.067 -10.678 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.243 -10.635 -8.925 1.00 0.00 H new ATOM 35 N GLN A 5 0.087 -9.498 -10.683 1.00 0.00 N ATOM 36 CA GLN A 5 -0.527 -9.566 -12.034 1.00 0.00 C ATOM 37 C GLN A 5 -1.903 -8.882 -12.206 1.00 0.00 C ATOM 38 O GLN A 5 -2.609 -9.169 -13.171 1.00 0.00 O ATOM 39 CB GLN A 5 -0.472 -11.008 -12.582 1.00 0.00 C ATOM 40 CG GLN A 5 -1.395 -12.037 -11.912 1.00 0.00 C ATOM 41 CD GLN A 5 -2.678 -12.288 -12.714 1.00 0.00 C ATOM 42 OE1 GLN A 5 -2.676 -12.533 -13.912 1.00 0.00 O ATOM 43 NE2 GLN A 5 -3.799 -12.360 -12.032 1.00 0.00 N ATOM 0 H GLN A 5 1.046 -9.151 -10.711 1.00 0.00 H new ATOM 0 HA GLN A 5 0.099 -8.933 -12.663 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.712 -10.977 -13.645 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.554 -11.365 -12.497 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.857 -12.977 -11.790 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.657 -11.688 -10.913 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.802 -12.156 -11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.666 -12.620 -12.502 1.00 0.00 H new ATOM 47 N PHE A 6 -1.969 -7.705 -11.574 1.00 0.00 N ATOM 48 CA PHE A 6 -3.152 -6.846 -11.304 1.00 0.00 C ATOM 49 C PHE A 6 -3.272 -6.550 -9.798 1.00 0.00 C ATOM 50 O PHE A 6 -3.761 -7.352 -9.003 1.00 0.00 O ATOM 51 CB PHE A 6 -4.500 -7.396 -11.795 1.00 0.00 C ATOM 52 CG PHE A 6 -5.205 -6.402 -12.719 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.903 -6.383 -14.074 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.210 -5.583 -12.220 1.00 0.00 C ATOM 55 CE1 PHE A 6 -5.606 -5.550 -14.934 1.00 0.00 C ATOM 56 CE2 PHE A 6 -6.919 -4.755 -13.081 1.00 0.00 C ATOM 57 CZ PHE A 6 -6.619 -4.736 -14.438 1.00 0.00 C ATOM 0 H PHE A 6 -1.121 -7.280 -11.199 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.958 -5.943 -11.883 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.340 -8.336 -12.323 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.139 -7.616 -10.939 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.119 -7.018 -14.460 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.440 -5.590 -11.165 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.367 -5.534 -15.987 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.706 -4.124 -12.695 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.171 -4.091 -15.106 1.00 0.00 H new ATOM 64 N GLU A 7 -2.664 -5.435 -9.412 1.00 0.00 N ATOM 65 CA GLU A 7 -2.680 -4.965 -8.010 1.00 0.00 C ATOM 66 C GLU A 7 -3.316 -3.570 -7.914 1.00 0.00 C ATOM 67 O GLU A 7 -2.712 -2.574 -8.304 1.00 0.00 O ATOM 68 CB GLU A 7 -1.259 -4.961 -7.442 1.00 0.00 C ATOM 69 CG GLU A 7 -0.642 -6.360 -7.406 1.00 0.00 C ATOM 70 CD GLU A 7 0.858 -6.305 -7.119 1.00 0.00 C ATOM 71 OE1 GLU A 7 1.619 -6.272 -8.110 1.00 0.00 O ATOM 72 OE2 GLU A 7 1.209 -6.401 -5.924 1.00 0.00 O ATOM 0 H GLU A 7 -2.147 -4.827 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.286 -5.649 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.631 -4.305 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.275 -4.548 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.138 -6.958 -6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.813 -6.858 -8.360 1.00 0.00 H new ATOM 74 N LEU A 8 -4.574 -3.572 -7.493 1.00 0.00 N ATOM 75 CA LEU A 8 -5.406 -2.352 -7.391 1.00 0.00 C ATOM 76 C LEU A 8 -5.636 -1.971 -5.921 1.00 0.00 C ATOM 77 O LEU A 8 -6.204 -2.750 -5.153 1.00 0.00 O ATOM 78 CB LEU A 8 -6.780 -2.581 -8.035 1.00 0.00 C ATOM 79 CG LEU A 8 -6.773 -3.063 -9.491 1.00 0.00 C ATOM 80 CD1 LEU A 8 -8.204 -3.433 -9.881 1.00 0.00 C ATOM 81 CD2 LEU A 8 -6.232 -1.998 -10.449 1.00 0.00 C ATOM 0 H LEU A 8 -5.062 -4.421 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.874 -1.553 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.322 -3.312 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.341 -1.648 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.112 -3.927 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.222 -3.779 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.566 -4.226 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.846 -2.558 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.246 -2.384 -11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.855 -1.106 -10.391 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.209 -1.745 -10.171 1.00 0.00 H new ATOM 83 N PHE A 9 -5.094 -0.819 -5.542 1.00 0.00 N ATOM 84 CA PHE A 9 -5.265 -0.288 -4.169 1.00 0.00 C ATOM 85 C PHE A 9 -5.788 1.159 -4.149 1.00 0.00 C ATOM 86 O PHE A 9 -5.364 1.996 -4.942 1.00 0.00 O ATOM 87 CB PHE A 9 -3.947 -0.414 -3.394 1.00 0.00 C ATOM 88 CG PHE A 9 -3.440 -1.863 -3.343 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.955 -2.761 -2.414 1.00 0.00 C ATOM 90 CD2 PHE A 9 -2.429 -2.268 -4.206 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.440 -4.050 -2.326 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.918 -3.557 -4.117 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.420 -4.449 -3.177 1.00 0.00 C ATOM 0 H PHE A 9 -4.532 -0.227 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.029 -0.890 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.191 0.217 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.088 -0.044 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.758 -2.456 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.041 -1.582 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.834 -4.740 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.126 -3.868 -4.782 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.018 -5.449 -3.109 1.00 0.00 H new ATOM 100 N SER A 10 -6.706 1.418 -3.222 1.00 0.00 N ATOM 101 CA SER A 10 -7.365 2.744 -3.074 1.00 0.00 C ATOM 102 C SER A 10 -7.362 3.217 -1.612 1.00 0.00 C ATOM 103 O SER A 10 -7.902 2.527 -0.744 1.00 0.00 O ATOM 104 CB SER A 10 -8.830 2.687 -3.526 1.00 0.00 C ATOM 105 OG SER A 10 -8.970 2.041 -4.796 1.00 0.00 O ATOM 0 H SER A 10 -7.025 0.725 -2.545 1.00 0.00 H new ATOM 0 HA SER A 10 -6.796 3.436 -3.695 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.420 2.154 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.231 3.699 -3.587 1.00 0.00 H new ATOM 0 HG SER A 10 -9.916 2.022 -5.051 1.00 0.00 H new ATOM 108 N ILE A 11 -6.780 4.390 -1.360 1.00 0.00 N ATOM 109 CA ILE A 11 -6.783 4.990 -0.002 1.00 0.00 C ATOM 110 C ILE A 11 -8.130 5.644 0.367 1.00 0.00 C ATOM 111 O ILE A 11 -8.741 6.322 -0.454 1.00 0.00 O ATOM 112 CB ILE A 11 -5.569 5.917 0.246 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.142 5.795 1.717 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.789 7.390 -0.147 1.00 0.00 C ATOM 115 CD1 ILE A 11 -3.708 6.263 1.987 1.00 0.00 C ATOM 0 H ILE A 11 -6.300 4.949 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.666 4.157 0.691 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.774 5.577 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.826 6.378 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.239 4.755 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.885 7.962 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.019 7.452 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.619 7.800 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.481 6.146 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.013 5.664 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.609 7.312 1.708 1.00 0.00 H new ATOM 117 N ASP A 12 -8.351 5.660 1.677 1.00 0.00 N ATOM 118 CA ASP A 12 -9.511 6.285 2.356 1.00 0.00 C ATOM 119 C ASP A 12 -9.709 7.815 2.248 1.00 0.00 C ATOM 120 O ASP A 12 -10.618 8.340 2.877 1.00 0.00 O ATOM 121 CB ASP A 12 -9.534 5.858 3.833 1.00 0.00 C ATOM 122 CG ASP A 12 -8.226 6.126 4.587 1.00 0.00 C ATOM 123 OD1 ASP A 12 -7.582 7.157 4.274 1.00 0.00 O ATOM 124 OD2 ASP A 12 -7.813 5.211 5.326 1.00 0.00 O ATOM 0 H ASP A 12 -7.706 5.222 2.335 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.356 5.902 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.345 6.382 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.760 4.793 3.888 1.00 0.00 H new ATOM 126 N LYS A 13 -8.945 8.483 1.382 1.00 0.00 N ATOM 127 CA LYS A 13 -8.823 9.961 1.276 1.00 0.00 C ATOM 128 C LYS A 13 -8.251 10.698 2.514 1.00 0.00 C ATOM 129 O LYS A 13 -7.699 11.789 2.397 1.00 0.00 O ATOM 130 CB LYS A 13 -10.142 10.598 0.786 1.00 0.00 C ATOM 131 CG LYS A 13 -10.031 12.087 0.420 1.00 0.00 C ATOM 132 CD LYS A 13 -8.935 12.319 -0.625 1.00 0.00 C ATOM 133 CE LYS A 13 -8.313 13.708 -0.505 1.00 0.00 C ATOM 134 NZ LYS A 13 -7.027 13.723 -1.214 1.00 0.00 N ATOM 0 H LYS A 13 -8.363 7.998 0.699 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.049 10.106 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.495 10.047 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.898 10.483 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.987 12.442 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.813 12.669 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.158 11.563 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.354 12.195 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.983 14.457 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.167 13.965 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.598 14.667 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.390 13.017 -0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.181 13.495 -2.217 1.00 0.00 H new ATOM 139 N PHE A 14 -8.190 9.996 3.637 1.00 0.00 N ATOM 140 CA PHE A 14 -7.807 10.569 4.942 1.00 0.00 C ATOM 141 C PHE A 14 -6.343 10.321 5.358 1.00 0.00 C ATOM 142 O PHE A 14 -5.850 10.931 6.304 1.00 0.00 O ATOM 143 CB PHE A 14 -8.786 10.031 5.997 1.00 0.00 C ATOM 144 CG PHE A 14 -10.254 10.300 5.626 1.00 0.00 C ATOM 145 CD1 PHE A 14 -10.652 11.541 5.139 1.00 0.00 C ATOM 146 CD2 PHE A 14 -11.163 9.246 5.631 1.00 0.00 C ATOM 147 CE1 PHE A 14 -11.934 11.723 4.638 1.00 0.00 C ATOM 148 CE2 PHE A 14 -12.446 9.428 5.131 1.00 0.00 C ATOM 149 CZ PHE A 14 -12.834 10.665 4.631 1.00 0.00 C ATOM 0 H PHE A 14 -8.406 9.000 3.679 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.871 11.654 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.635 8.958 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.567 10.492 6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.959 12.369 5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.870 8.284 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.232 12.687 4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.145 8.605 5.131 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.831 10.803 4.239 1.00 0.00 H new ATOM 156 N LYS A 15 -5.673 9.421 4.633 1.00 0.00 N ATOM 157 CA LYS A 15 -4.286 8.979 4.891 1.00 0.00 C ATOM 158 C LYS A 15 -4.181 8.360 6.302 1.00 0.00 C ATOM 159 O LYS A 15 -4.953 7.450 6.591 1.00 0.00 O ATOM 160 CB LYS A 15 -3.265 10.089 4.572 1.00 0.00 C ATOM 161 CG LYS A 15 -3.081 10.299 3.063 1.00 0.00 C ATOM 162 CD LYS A 15 -3.996 11.365 2.446 1.00 0.00 C ATOM 163 CE LYS A 15 -3.452 12.777 2.688 1.00 0.00 C ATOM 164 NZ LYS A 15 -4.277 13.798 2.025 1.00 0.00 N ATOM 0 H LYS A 15 -6.088 8.961 3.823 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.017 8.178 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.593 11.023 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.305 9.835 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.044 10.576 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.256 9.351 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.091 11.189 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.995 11.280 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.418 12.976 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.428 12.841 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.879 14.741 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.289 13.623 1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.248 13.754 2.395 1.00 0.00 H new ATOM 169 N CYS A 16 -3.171 8.728 7.090 1.00 0.00 N ATOM 170 CA CYS A 16 -3.058 8.303 8.504 1.00 0.00 C ATOM 171 C CYS A 16 -2.601 9.417 9.458 1.00 0.00 C ATOM 172 O CYS A 16 -3.294 9.709 10.429 1.00 0.00 O ATOM 173 CB CYS A 16 -2.169 7.066 8.672 1.00 0.00 C ATOM 174 SG CYS A 16 -2.918 5.462 8.205 1.00 0.00 S ATOM 0 H CYS A 16 -2.406 9.326 6.778 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.077 8.042 8.789 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.267 7.209 8.077 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.857 7.008 9.715 1.00 0.00 H new ATOM 176 N ASN A 17 -1.372 9.893 9.232 1.00 0.00 N ATOM 177 CA ASN A 17 -0.689 10.986 9.968 1.00 0.00 C ATOM 178 C ASN A 17 0.653 11.307 9.276 1.00 0.00 C ATOM 179 O ASN A 17 0.702 12.182 8.418 1.00 0.00 O ATOM 180 CB ASN A 17 -0.486 10.651 11.456 1.00 0.00 C ATOM 181 CG ASN A 17 -1.261 11.568 12.407 1.00 0.00 C ATOM 182 OD1 ASN A 17 -0.730 12.500 12.990 1.00 0.00 O ATOM 183 ND2 ASN A 17 -2.526 11.280 12.614 1.00 0.00 N ATOM 0 H ASN A 17 -0.786 9.510 8.490 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.329 11.868 9.941 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.791 9.619 11.632 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.576 10.713 11.691 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.076 11.838 13.268 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.959 10.499 12.121 1.00 0.00 H new ATOM 187 N SER A 18 1.678 10.489 9.528 1.00 0.00 N ATOM 188 CA SER A 18 3.022 10.614 8.908 1.00 0.00 C ATOM 189 C SER A 18 3.003 10.335 7.393 1.00 0.00 C ATOM 190 O SER A 18 3.645 11.034 6.610 1.00 0.00 O ATOM 191 CB SER A 18 4.024 9.663 9.584 1.00 0.00 C ATOM 192 OG SER A 18 3.574 9.338 10.908 1.00 0.00 O ATOM 0 H SER A 18 1.608 9.705 10.177 1.00 0.00 H new ATOM 0 HA SER A 18 3.333 11.648 9.056 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.130 8.753 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.008 10.130 9.630 1.00 0.00 H new ATOM 0 HG SER A 18 4.270 8.829 11.374 1.00 0.00 H new ATOM 195 N GLU A 19 2.312 9.265 7.003 1.00 0.00 N ATOM 196 CA GLU A 19 2.043 8.951 5.588 1.00 0.00 C ATOM 197 C GLU A 19 1.006 9.895 4.958 1.00 0.00 C ATOM 198 O GLU A 19 -0.144 9.942 5.389 1.00 0.00 O ATOM 199 CB GLU A 19 1.746 7.452 5.450 1.00 0.00 C ATOM 200 CG GLU A 19 0.838 6.985 4.310 1.00 0.00 C ATOM 201 CD GLU A 19 -0.651 7.203 4.593 1.00 0.00 C ATOM 202 OE1 GLU A 19 -1.058 6.964 5.752 1.00 0.00 O ATOM 203 OE2 GLU A 19 -1.353 7.558 3.629 1.00 0.00 O ATOM 0 H GLU A 19 1.919 8.586 7.655 1.00 0.00 H new ATOM 0 HA GLU A 19 2.934 9.146 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.700 6.934 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.301 7.116 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.109 7.517 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.014 5.925 4.125 1.00 0.00 H new ATOM 205 N ALA A 20 1.476 10.504 3.872 1.00 0.00 N ATOM 206 CA ALA A 20 0.746 11.454 3.000 1.00 0.00 C ATOM 207 C ALA A 20 1.598 11.830 1.764 1.00 0.00 C ATOM 208 O ALA A 20 1.657 11.045 0.821 1.00 0.00 O ATOM 209 CB ALA A 20 0.272 12.692 3.781 1.00 0.00 C ATOM 0 H ALA A 20 2.430 10.346 3.548 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.153 10.957 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.259 13.365 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.395 12.382 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.134 13.207 4.204 1.00 0.00 H new ATOM 211 N LYS A 21 2.471 12.831 1.910 1.00 0.00 N ATOM 212 CA LYS A 21 3.288 13.410 0.814 1.00 0.00 C ATOM 213 C LYS A 21 4.165 12.392 0.056 1.00 0.00 C ATOM 214 O LYS A 21 3.833 12.007 -1.060 1.00 0.00 O ATOM 215 CB LYS A 21 4.150 14.574 1.317 1.00 0.00 C ATOM 216 CG LYS A 21 3.357 15.731 1.928 1.00 0.00 C ATOM 217 CD LYS A 21 3.578 15.777 3.443 1.00 0.00 C ATOM 218 CE LYS A 21 3.840 17.208 3.923 1.00 0.00 C ATOM 219 NZ LYS A 21 5.095 17.744 3.372 1.00 0.00 N ATOM 0 H LYS A 21 2.641 13.279 2.811 1.00 0.00 H new ATOM 0 HA LYS A 21 2.559 13.775 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.850 14.196 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.744 14.955 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.669 16.674 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.296 15.610 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.703 15.374 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.422 15.141 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.009 17.849 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.884 17.225 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.461 18.487 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.795 16.979 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.917 18.145 2.429 1.00 0.00 H new ATOM 224 N TYR A 22 5.267 11.967 0.678 1.00 0.00 N ATOM 225 CA TYR A 22 6.170 10.919 0.145 1.00 0.00 C ATOM 226 C TYR A 22 5.444 9.623 -0.277 1.00 0.00 C ATOM 227 O TYR A 22 5.744 9.082 -1.336 1.00 0.00 O ATOM 228 CB TYR A 22 7.291 10.604 1.149 1.00 0.00 C ATOM 229 CG TYR A 22 6.872 9.842 2.419 1.00 0.00 C ATOM 230 CD1 TYR A 22 5.719 10.170 3.124 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.604 8.723 2.794 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.281 9.357 4.152 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.165 7.907 3.830 1.00 0.00 C ATOM 234 CZ TYR A 22 5.993 8.223 4.510 1.00 0.00 C ATOM 235 OH TYR A 22 5.453 7.403 5.444 1.00 0.00 O ATOM 0 H TYR A 22 5.570 12.339 1.578 1.00 0.00 H new ATOM 0 HA TYR A 22 6.601 11.334 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.056 10.021 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.755 11.543 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.165 11.061 2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.522 8.485 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.374 9.608 4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.732 7.030 4.106 1.00 0.00 H new ATOM 0 HH TYR A 22 5.870 6.518 5.383 1.00 0.00 H new ATOM 242 N TYR A 23 4.367 9.299 0.445 1.00 0.00 N ATOM 243 CA TYR A 23 3.487 8.154 0.139 1.00 0.00 C ATOM 244 C TYR A 23 2.934 8.313 -1.286 1.00 0.00 C ATOM 245 O TYR A 23 3.473 7.685 -2.189 1.00 0.00 O ATOM 246 CB TYR A 23 2.378 7.996 1.188 1.00 0.00 C ATOM 247 CG TYR A 23 1.601 6.675 1.066 1.00 0.00 C ATOM 248 CD1 TYR A 23 2.153 5.497 1.551 1.00 0.00 C ATOM 249 CD2 TYR A 23 0.339 6.642 0.484 1.00 0.00 C ATOM 250 CE1 TYR A 23 1.499 4.283 1.397 1.00 0.00 C ATOM 251 CE2 TYR A 23 -0.346 5.438 0.390 1.00 0.00 C ATOM 252 CZ TYR A 23 0.241 4.255 0.813 1.00 0.00 C ATOM 253 OH TYR A 23 -0.436 3.085 0.691 1.00 0.00 O ATOM 0 H TYR A 23 4.074 9.826 1.268 1.00 0.00 H new ATOM 0 HA TYR A 23 4.065 7.231 0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.819 8.058 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.680 8.828 1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.107 5.526 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.107 7.550 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.966 3.367 1.729 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.346 5.423 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.301 3.251 0.260 1.00 0.00 H new ATOM 260 N LEU A 24 2.143 9.359 -1.506 1.00 0.00 N ATOM 261 CA LEU A 24 1.606 9.647 -2.853 1.00 0.00 C ATOM 262 C LEU A 24 2.706 9.876 -3.916 1.00 0.00 C ATOM 263 O LEU A 24 2.782 9.083 -4.846 1.00 0.00 O ATOM 264 CB LEU A 24 0.527 10.740 -2.815 1.00 0.00 C ATOM 265 CG LEU A 24 0.955 12.128 -2.321 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.373 13.031 -3.484 1.00 0.00 C ATOM 267 CD2 LEU A 24 -0.177 12.764 -1.517 1.00 0.00 C ATOM 0 H LEU A 24 1.856 10.021 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 24 1.100 8.743 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.121 10.849 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.286 10.391 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 24 1.825 12.010 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.670 14.006 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.212 12.579 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.535 13.152 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.133 13.749 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.060 12.863 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.413 12.134 -0.659 1.00 0.00 H new ATOM 269 N ASN A 25 3.726 10.658 -3.575 1.00 0.00 N ATOM 270 CA ASN A 25 4.849 10.943 -4.499 1.00 0.00 C ATOM 271 C ASN A 25 5.689 9.746 -4.993 1.00 0.00 C ATOM 272 O ASN A 25 6.376 9.873 -6.002 1.00 0.00 O ATOM 273 CB ASN A 25 5.745 12.063 -3.964 1.00 0.00 C ATOM 274 CG ASN A 25 5.261 13.440 -4.444 1.00 0.00 C ATOM 275 OD1 ASN A 25 4.656 13.613 -5.490 1.00 0.00 O ATOM 276 ND2 ASN A 25 5.557 14.477 -3.695 1.00 0.00 N ATOM 0 H ASN A 25 3.809 11.113 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 25 4.335 11.270 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.752 12.037 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.771 11.900 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.282 15.414 -3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.062 14.346 -2.819 1.00 0.00 H new ATOM 280 N ILE A 26 5.717 8.658 -4.226 1.00 0.00 N ATOM 281 CA ILE A 26 6.432 7.427 -4.653 1.00 0.00 C ATOM 282 C ILE A 26 5.481 6.217 -4.912 1.00 0.00 C ATOM 283 O ILE A 26 5.873 5.265 -5.578 1.00 0.00 O ATOM 284 CB ILE A 26 7.587 7.101 -3.668 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.371 8.313 -3.114 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.563 6.059 -4.239 1.00 0.00 C ATOM 287 CD1 ILE A 26 9.114 9.206 -4.118 1.00 0.00 C ATOM 0 H ILE A 26 5.263 8.589 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 26 6.878 7.629 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 26 7.060 6.682 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.671 8.940 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.100 7.940 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.353 5.864 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.026 5.134 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.003 6.439 -5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.617 10.013 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.852 8.612 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.401 9.628 -4.826 1.00 0.00 H new ATOM 289 N ILE A 27 4.250 6.230 -4.383 1.00 0.00 N ATOM 290 CA ILE A 27 3.274 5.111 -4.526 1.00 0.00 C ATOM 291 C ILE A 27 2.076 5.378 -5.470 1.00 0.00 C ATOM 292 O ILE A 27 1.503 4.429 -6.002 1.00 0.00 O ATOM 293 CB ILE A 27 2.844 4.624 -3.116 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.768 3.092 -2.960 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.613 5.318 -2.517 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.662 2.325 -3.694 1.00 0.00 C ATOM 0 H ILE A 27 3.890 7.014 -3.839 1.00 0.00 H new ATOM 0 HA ILE A 27 3.797 4.308 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 27 3.684 4.957 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.724 2.680 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.670 2.874 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.403 4.900 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.807 6.387 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.754 5.161 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.752 1.261 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.688 2.682 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.759 2.486 -4.768 1.00 0.00 H new ATOM 298 N GLU A 28 1.658 6.638 -5.599 1.00 0.00 N ATOM 299 CA GLU A 28 0.458 7.041 -6.366 1.00 0.00 C ATOM 300 C GLU A 28 0.679 6.820 -7.872 1.00 0.00 C ATOM 301 O GLU A 28 1.327 7.603 -8.564 1.00 0.00 O ATOM 302 CB GLU A 28 0.110 8.490 -6.013 1.00 0.00 C ATOM 303 CG GLU A 28 -1.194 9.040 -6.591 1.00 0.00 C ATOM 304 CD GLU A 28 -1.458 10.428 -5.995 1.00 0.00 C ATOM 305 OE1 GLU A 28 -0.952 11.415 -6.567 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.148 10.468 -4.950 1.00 0.00 O ATOM 0 H GLU A 28 2.144 7.426 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.395 6.419 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.064 8.575 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.927 9.128 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.127 9.103 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.021 8.368 -6.361 1.00 0.00 H new ATOM 308 N GLY A 29 0.116 5.694 -8.308 1.00 0.00 N ATOM 309 CA GLY A 29 0.356 5.114 -9.644 1.00 0.00 C ATOM 310 C GLY A 29 0.878 3.676 -9.511 1.00 0.00 C ATOM 311 O GLY A 29 0.592 2.998 -8.523 1.00 0.00 O ATOM 0 H GLY A 29 -0.530 5.145 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.567 5.121 -10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.078 5.722 -10.188 1.00 0.00 H new ATOM 313 N GLU A 30 1.700 3.278 -10.478 1.00 0.00 N ATOM 314 CA GLU A 30 2.163 1.876 -10.605 1.00 0.00 C ATOM 315 C GLU A 30 3.675 1.618 -10.547 1.00 0.00 C ATOM 316 O GLU A 30 4.464 2.191 -11.294 1.00 0.00 O ATOM 317 CB GLU A 30 1.562 1.152 -11.821 1.00 0.00 C ATOM 318 CG GLU A 30 1.673 1.892 -13.161 1.00 0.00 C ATOM 319 CD GLU A 30 0.325 2.487 -13.586 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.193 3.344 -12.837 1.00 0.00 O ATOM 321 OE2 GLU A 30 -0.156 2.067 -14.659 1.00 0.00 O ATOM 0 H GLU A 30 2.068 3.902 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 30 1.773 1.451 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.051 0.183 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.508 0.958 -11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.414 2.688 -13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.027 1.205 -13.929 1.00 0.00 H new ATOM 323 N TRP A 31 3.995 0.637 -9.712 1.00 0.00 N ATOM 324 CA TRP A 31 5.347 0.062 -9.547 1.00 0.00 C ATOM 325 C TRP A 31 5.628 -0.964 -10.656 1.00 0.00 C ATOM 326 O TRP A 31 4.930 -1.972 -10.751 1.00 0.00 O ATOM 327 CB TRP A 31 5.454 -0.638 -8.189 1.00 0.00 C ATOM 328 CG TRP A 31 5.212 0.318 -7.019 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.034 0.786 -6.617 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.174 0.872 -6.198 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.204 1.604 -5.588 1.00 0.00 N ATOM 332 CE2 TRP A 31 5.499 1.671 -5.296 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.556 0.756 -6.117 1.00 0.00 C ATOM 334 CZ2 TRP A 31 6.183 2.339 -4.301 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.246 1.455 -5.132 1.00 0.00 C ATOM 336 CH2 TRP A 31 7.563 2.256 -4.229 1.00 0.00 C ATOM 0 H TRP A 31 3.304 0.197 -9.105 1.00 0.00 H new ATOM 0 HA TRP A 31 6.075 0.871 -9.606 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.731 -1.452 -8.145 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.443 -1.085 -8.091 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.082 0.537 -7.062 1.00 0.00 H new ATOM 0 HE1 TRP A 31 3.460 2.102 -5.099 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.091 0.128 -6.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.640 2.928 -3.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.321 1.373 -5.070 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.103 2.810 -3.476 1.00 0.00 H new ATOM 344 N HIS A 32 6.754 -0.713 -11.326 1.00 0.00 N ATOM 345 CA HIS A 32 7.318 -1.367 -12.541 1.00 0.00 C ATOM 346 C HIS A 32 7.628 -0.315 -13.622 1.00 0.00 C ATOM 347 O HIS A 32 6.837 0.609 -13.802 1.00 0.00 O ATOM 348 CB HIS A 32 6.434 -2.430 -13.216 1.00 0.00 C ATOM 349 CG HIS A 32 6.942 -3.853 -12.970 1.00 0.00 C ATOM 350 ND1 HIS A 32 7.665 -4.585 -13.816 1.00 0.00 N ATOM 351 CD2 HIS A 32 6.821 -4.537 -11.834 1.00 0.00 C ATOM 352 CE1 HIS A 32 8.005 -5.712 -13.196 1.00 0.00 C ATOM 353 NE2 HIS A 32 7.483 -5.681 -11.973 1.00 0.00 N ATOM 0 H HIS A 32 7.372 0.033 -11.007 1.00 0.00 H new ATOM 0 HA HIS A 32 8.203 -1.875 -12.158 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.414 -2.341 -12.842 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.398 -2.240 -14.289 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.280 -4.218 -10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.600 -6.511 -13.612 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.575 -6.409 -11.265 1.00 0.00 H new ATOM 356 N PRO A 33 8.728 -0.480 -14.373 1.00 0.00 N ATOM 357 CA PRO A 33 9.010 0.351 -15.564 1.00 0.00 C ATOM 358 C PRO A 33 8.134 -0.019 -16.784 1.00 0.00 C ATOM 359 O PRO A 33 8.628 -0.313 -17.868 1.00 0.00 O ATOM 360 CB PRO A 33 10.519 0.200 -15.783 1.00 0.00 C ATOM 361 CG PRO A 33 10.840 -1.184 -15.223 1.00 0.00 C ATOM 362 CD PRO A 33 9.891 -1.326 -14.034 1.00 0.00 C ATOM 0 HA PRO A 33 8.745 1.398 -15.417 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.778 0.272 -16.839 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.077 0.979 -15.264 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.671 -1.965 -15.965 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.883 -1.258 -14.914 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.595 -2.365 -13.887 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.364 -0.995 -13.109 1.00 0.00 H new ATOM 363 N GLN A 34 6.824 -0.099 -16.536 1.00 0.00 N ATOM 364 CA GLN A 34 5.748 -0.404 -17.516 1.00 0.00 C ATOM 365 C GLN A 34 6.017 -1.534 -18.536 1.00 0.00 C ATOM 366 O GLN A 34 5.530 -1.537 -19.665 1.00 0.00 O ATOM 367 CB GLN A 34 5.292 0.895 -18.194 1.00 0.00 C ATOM 368 CG GLN A 34 4.532 1.797 -17.215 1.00 0.00 C ATOM 369 CD GLN A 34 4.080 3.095 -17.885 1.00 0.00 C ATOM 370 OE1 GLN A 34 3.036 3.183 -18.512 1.00 0.00 O ATOM 371 NE2 GLN A 34 4.862 4.143 -17.748 1.00 0.00 N ATOM 0 H GLN A 34 6.453 0.054 -15.598 1.00 0.00 H new ATOM 0 HA GLN A 34 4.942 -0.834 -16.922 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.159 1.428 -18.584 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.653 0.659 -19.045 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.663 1.265 -16.827 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.170 2.029 -16.362 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.733 4.064 -17.223 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.598 5.035 -18.166 1.00 0.00 H new ATOM 375 N ASP A 35 6.642 -2.593 -18.032 1.00 0.00 N ATOM 376 CA ASP A 35 7.125 -3.731 -18.846 1.00 0.00 C ATOM 377 C ASP A 35 6.986 -5.094 -18.137 1.00 0.00 C ATOM 378 O ASP A 35 7.958 -5.648 -17.624 1.00 0.00 O ATOM 379 CB ASP A 35 8.572 -3.461 -19.302 1.00 0.00 C ATOM 380 CG ASP A 35 9.562 -3.067 -18.189 1.00 0.00 C ATOM 381 OD1 ASP A 35 9.227 -3.255 -16.993 1.00 0.00 O ATOM 382 OD2 ASP A 35 10.619 -2.511 -18.552 1.00 0.00 O ATOM 0 H ASP A 35 6.836 -2.698 -17.036 1.00 0.00 H new ATOM 0 HA ASP A 35 6.482 -3.805 -19.723 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.949 -4.355 -19.799 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.556 -2.665 -20.047 1.00 0.00 H new ATOM 384 N LEU A 36 5.731 -5.523 -18.014 1.00 0.00 N ATOM 385 CA LEU A 36 5.325 -6.835 -17.451 1.00 0.00 C ATOM 386 C LEU A 36 3.793 -6.981 -17.525 1.00 0.00 C ATOM 387 O LEU A 36 3.063 -6.494 -16.662 1.00 0.00 O ATOM 388 CB LEU A 36 5.795 -7.001 -15.990 1.00 0.00 C ATOM 389 CG LEU A 36 6.144 -8.429 -15.524 1.00 0.00 C ATOM 390 CD1 LEU A 36 4.948 -9.387 -15.541 1.00 0.00 C ATOM 391 CD2 LEU A 36 7.330 -8.998 -16.310 1.00 0.00 C ATOM 0 H LEU A 36 4.934 -4.958 -18.309 1.00 0.00 H new ATOM 0 HA LEU A 36 5.801 -7.615 -18.045 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.674 -6.373 -15.844 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.013 -6.613 -15.337 1.00 0.00 H new ATOM 0 HG LEU A 36 6.439 -8.340 -14.478 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.266 -10.373 -15.202 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.170 -9.009 -14.878 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.556 -9.462 -16.555 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.550 -10.006 -15.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.081 -9.031 -17.371 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.203 -8.363 -16.162 1.00 0.00 H new ATOM 393 N ASN A 37 3.359 -7.456 -18.691 1.00 0.00 N ATOM 394 CA ASN A 37 1.947 -7.750 -19.054 1.00 0.00 C ATOM 395 C ASN A 37 0.901 -6.633 -18.817 1.00 0.00 C ATOM 396 O ASN A 37 -0.294 -6.846 -18.984 1.00 0.00 O ATOM 397 CB ASN A 37 1.498 -9.050 -18.367 1.00 0.00 C ATOM 398 CG ASN A 37 2.321 -10.279 -18.778 1.00 0.00 C ATOM 399 OD1 ASN A 37 3.546 -10.304 -18.761 1.00 0.00 O ATOM 400 ND2 ASN A 37 1.645 -11.350 -19.120 1.00 0.00 N ATOM 0 H ASN A 37 4.003 -7.661 -19.455 1.00 0.00 H new ATOM 0 HA ASN A 37 1.970 -7.844 -20.140 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.566 -8.922 -17.287 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.449 -9.231 -18.601 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.139 -12.206 -19.372 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.625 -11.327 -19.133 1.00 0.00 H new ATOM 404 N ASP A 38 1.403 -5.411 -18.630 1.00 0.00 N ATOM 405 CA ASP A 38 0.664 -4.199 -18.210 1.00 0.00 C ATOM 406 C ASP A 38 -0.190 -4.371 -16.929 1.00 0.00 C ATOM 407 O ASP A 38 -1.079 -3.564 -16.673 1.00 0.00 O ATOM 408 CB ASP A 38 -0.150 -3.639 -19.388 1.00 0.00 C ATOM 409 CG ASP A 38 -0.563 -2.178 -19.165 1.00 0.00 C ATOM 410 OD1 ASP A 38 0.363 -1.362 -18.955 1.00 0.00 O ATOM 411 OD2 ASP A 38 -1.780 -1.907 -19.240 1.00 0.00 O ATOM 0 H ASP A 38 2.395 -5.220 -18.774 1.00 0.00 H new ATOM 0 HA ASP A 38 1.417 -3.466 -17.921 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.439 -3.713 -20.302 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.042 -4.249 -19.534 1.00 0.00 H new ATOM 413 N SER A 39 0.270 -5.242 -16.030 1.00 0.00 N ATOM 414 CA SER A 39 -0.460 -5.543 -14.773 1.00 0.00 C ATOM 415 C SER A 39 0.343 -5.326 -13.463 1.00 0.00 C ATOM 416 O SER A 39 0.470 -6.250 -12.649 1.00 0.00 O ATOM 417 CB SER A 39 -1.008 -6.971 -14.864 1.00 0.00 C ATOM 418 OG SER A 39 -1.976 -7.087 -15.908 1.00 0.00 O ATOM 0 H SER A 39 1.144 -5.757 -16.138 1.00 0.00 H new ATOM 0 HA SER A 39 -1.266 -4.814 -14.696 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.189 -7.667 -15.045 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.460 -7.251 -13.913 1.00 0.00 H new ATOM 0 HG SER A 39 -2.308 -8.008 -15.945 1.00 0.00 H new ATOM 421 N PRO A 40 0.844 -4.104 -13.204 1.00 0.00 N ATOM 422 CA PRO A 40 1.721 -3.816 -12.050 1.00 0.00 C ATOM 423 C PRO A 40 0.934 -3.646 -10.732 1.00 0.00 C ATOM 424 O PRO A 40 -0.172 -4.169 -10.564 1.00 0.00 O ATOM 425 CB PRO A 40 2.457 -2.526 -12.458 1.00 0.00 C ATOM 426 CG PRO A 40 2.166 -2.334 -13.942 1.00 0.00 C ATOM 427 CD PRO A 40 0.756 -2.902 -14.054 1.00 0.00 C ATOM 0 HA PRO A 40 2.404 -4.639 -11.840 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.104 -1.674 -11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.528 -2.613 -12.278 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.210 -1.285 -14.236 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.875 -2.871 -14.572 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.003 -2.201 -13.693 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.495 -3.148 -15.083 1.00 0.00 H new ATOM 428 N LEU A 41 1.556 -2.928 -9.799 1.00 0.00 N ATOM 429 CA LEU A 41 0.997 -2.525 -8.495 1.00 0.00 C ATOM 430 C LEU A 41 0.624 -1.036 -8.547 1.00 0.00 C ATOM 431 O LEU A 41 1.512 -0.189 -8.571 1.00 0.00 O ATOM 432 CB LEU A 41 2.064 -2.890 -7.441 1.00 0.00 C ATOM 433 CG LEU A 41 2.212 -2.056 -6.157 1.00 0.00 C ATOM 434 CD1 LEU A 41 0.943 -1.989 -5.308 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.359 -2.630 -5.323 1.00 0.00 C ATOM 0 H LEU A 41 2.510 -2.592 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 41 0.072 -3.039 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.875 -3.919 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.031 -2.879 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 41 2.419 -1.032 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.130 -1.383 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.138 -1.541 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.654 -2.996 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.473 -2.046 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.139 -3.666 -5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.284 -2.588 -5.898 1.00 0.00 H new ATOM 437 N LYS A 42 -0.668 -0.759 -8.723 1.00 0.00 N ATOM 438 CA LYS A 42 -1.162 0.626 -8.810 1.00 0.00 C ATOM 439 C LYS A 42 -2.151 1.014 -7.702 1.00 0.00 C ATOM 440 O LYS A 42 -3.027 0.248 -7.296 1.00 0.00 O ATOM 441 CB LYS A 42 -1.668 0.973 -10.221 1.00 0.00 C ATOM 442 CG LYS A 42 -3.040 0.438 -10.652 1.00 0.00 C ATOM 443 CD LYS A 42 -4.080 1.566 -10.724 1.00 0.00 C ATOM 444 CE LYS A 42 -3.825 2.581 -11.851 1.00 0.00 C ATOM 445 NZ LYS A 42 -4.234 2.083 -13.174 1.00 0.00 N ATOM 0 H LYS A 42 -1.395 -1.470 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.292 1.256 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.692 2.059 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.930 0.612 -10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.955 -0.044 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.374 -0.323 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.068 1.127 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.095 2.094 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.365 3.502 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.764 2.831 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.039 2.808 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.701 1.219 -13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.252 1.869 -13.165 1.00 0.00 H new ATOM 450 N PHE A 43 -1.854 2.180 -7.140 1.00 0.00 N ATOM 451 CA PHE A 43 -2.633 2.787 -6.052 1.00 0.00 C ATOM 452 C PHE A 43 -3.148 4.200 -6.378 1.00 0.00 C ATOM 453 O PHE A 43 -2.402 5.073 -6.825 1.00 0.00 O ATOM 454 CB PHE A 43 -1.770 2.718 -4.785 1.00 0.00 C ATOM 455 CG PHE A 43 -2.154 3.705 -3.686 1.00 0.00 C ATOM 456 CD1 PHE A 43 -1.572 4.963 -3.716 1.00 0.00 C ATOM 457 CD2 PHE A 43 -3.103 3.392 -2.722 1.00 0.00 C ATOM 458 CE1 PHE A 43 -1.950 5.931 -2.801 1.00 0.00 C ATOM 459 CE2 PHE A 43 -3.463 4.350 -1.786 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.905 5.624 -1.844 1.00 0.00 C ATOM 0 H PHE A 43 -1.054 2.744 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.555 2.227 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.826 1.707 -4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.730 2.893 -5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.820 5.189 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.556 2.412 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.506 6.915 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.176 4.108 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.218 6.379 -1.138 1.00 0.00 H new ATOM 467 N ILE A 44 -4.416 4.383 -6.020 1.00 0.00 N ATOM 468 CA ILE A 44 -5.215 5.615 -6.201 1.00 0.00 C ATOM 469 C ILE A 44 -5.695 6.100 -4.811 1.00 0.00 C ATOM 470 O ILE A 44 -5.670 5.373 -3.815 1.00 0.00 O ATOM 471 CB ILE A 44 -6.414 5.333 -7.151 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.037 4.542 -8.421 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.194 6.598 -7.552 1.00 0.00 C ATOM 474 CD1 ILE A 44 -4.974 5.173 -9.337 1.00 0.00 C ATOM 0 H ILE A 44 -4.953 3.642 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.611 6.398 -6.658 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.066 4.704 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.682 3.557 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.943 4.387 -9.007 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.015 6.324 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.593 7.078 -6.658 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.527 7.289 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.798 4.521 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.325 6.144 -9.686 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.045 5.301 -8.782 1.00 0.00 H new ATOM 476 N LEU A 45 -6.182 7.335 -4.778 1.00 0.00 N ATOM 477 CA LEU A 45 -6.717 7.989 -3.571 1.00 0.00 C ATOM 478 C LEU A 45 -8.210 8.322 -3.740 1.00 0.00 C ATOM 479 O LEU A 45 -8.676 8.551 -4.857 1.00 0.00 O ATOM 480 CB LEU A 45 -5.887 9.245 -3.235 1.00 0.00 C ATOM 481 CG LEU A 45 -6.025 10.492 -4.126 1.00 0.00 C ATOM 482 CD1 LEU A 45 -5.275 11.643 -3.456 1.00 0.00 C ATOM 483 CD2 LEU A 45 -5.469 10.300 -5.541 1.00 0.00 C ATOM 0 H LEU A 45 -6.220 7.931 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.636 7.297 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.135 9.540 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.836 8.955 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.090 10.698 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.359 12.539 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.706 11.835 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.224 11.377 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.601 11.219 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.408 10.056 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.002 9.487 -6.034 1.00 0.00 H new ATOM 485 N SER A 46 -8.950 8.187 -2.637 1.00 0.00 N ATOM 486 CA SER A 46 -10.380 8.568 -2.516 1.00 0.00 C ATOM 487 C SER A 46 -11.286 7.644 -3.362 1.00 0.00 C ATOM 488 O SER A 46 -10.945 6.488 -3.617 1.00 0.00 O ATOM 489 CB SER A 46 -10.549 10.061 -2.868 1.00 0.00 C ATOM 490 OG SER A 46 -11.840 10.551 -2.484 1.00 0.00 O ATOM 0 H SER A 46 -8.571 7.800 -1.773 1.00 0.00 H new ATOM 0 HA SER A 46 -10.702 8.432 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.775 10.643 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.410 10.201 -3.940 1.00 0.00 H new ATOM 0 HG SER A 46 -11.913 11.499 -2.719 1.00 0.00 H new ATOM 493 N THR A 47 -12.447 8.163 -3.757 1.00 0.00 N ATOM 494 CA THR A 47 -13.451 7.521 -4.636 1.00 0.00 C ATOM 495 C THR A 47 -14.067 6.287 -3.929 1.00 0.00 C ATOM 496 O THR A 47 -14.243 6.297 -2.708 1.00 0.00 O ATOM 497 CB THR A 47 -12.843 7.241 -6.036 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.985 8.317 -6.440 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.928 7.136 -7.115 1.00 0.00 C ATOM 0 H THR A 47 -12.739 9.095 -3.462 1.00 0.00 H new ATOM 0 HA THR A 47 -14.287 8.196 -4.819 1.00 0.00 H new ATOM 0 HB THR A 47 -12.297 6.302 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.610 8.122 -7.324 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.463 6.940 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.609 6.322 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.484 8.072 -7.164 1.00 0.00 H new ATOM 502 N SER A 48 -14.537 5.298 -4.696 1.00 0.00 N ATOM 503 CA SER A 48 -15.281 4.108 -4.211 1.00 0.00 C ATOM 504 C SER A 48 -16.488 4.411 -3.295 1.00 0.00 C ATOM 505 O SER A 48 -16.869 3.598 -2.453 1.00 0.00 O ATOM 506 CB SER A 48 -14.338 3.116 -3.514 1.00 0.00 C ATOM 507 OG SER A 48 -13.446 2.504 -4.447 1.00 0.00 O ATOM 0 H SER A 48 -14.411 5.294 -5.708 1.00 0.00 H new ATOM 0 HA SER A 48 -15.700 3.666 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.764 3.635 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.924 2.347 -3.010 1.00 0.00 H new ATOM 0 HG SER A 48 -13.060 1.696 -4.049 1.00 0.00 H new ATOM 510 N ASP A 49 -17.087 5.590 -3.488 1.00 0.00 N ATOM 511 CA ASP A 49 -18.190 6.175 -2.684 1.00 0.00 C ATOM 512 C ASP A 49 -17.813 6.497 -1.220 1.00 0.00 C ATOM 513 O ASP A 49 -18.337 7.453 -0.660 1.00 0.00 O ATOM 514 CB ASP A 49 -19.458 5.309 -2.755 1.00 0.00 C ATOM 515 CG ASP A 49 -20.704 5.954 -2.129 1.00 0.00 C ATOM 516 OD1 ASP A 49 -20.934 7.152 -2.404 1.00 0.00 O ATOM 517 OD2 ASP A 49 -21.445 5.200 -1.463 1.00 0.00 O ATOM 0 H ASP A 49 -16.806 6.206 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.398 7.140 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -19.669 5.080 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -19.264 4.361 -2.254 1.00 0.00 H new ATOM 519 N ASP A 50 -17.030 5.619 -0.597 1.00 0.00 N ATOM 520 CA ASP A 50 -16.482 5.817 0.761 1.00 0.00 C ATOM 521 C ASP A 50 -15.185 5.013 1.019 1.00 0.00 C ATOM 522 O ASP A 50 -14.822 4.787 2.171 1.00 0.00 O ATOM 523 CB ASP A 50 -17.571 5.452 1.781 1.00 0.00 C ATOM 524 CG ASP A 50 -17.536 6.356 3.019 1.00 0.00 C ATOM 525 OD1 ASP A 50 -17.393 7.585 2.835 1.00 0.00 O ATOM 526 OD2 ASP A 50 -17.738 5.808 4.124 1.00 0.00 O ATOM 0 H ASP A 50 -16.749 4.734 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.198 6.864 0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.550 5.527 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.444 4.414 2.088 1.00 0.00 H new ATOM 528 N SER A 51 -14.393 4.828 -0.043 1.00 0.00 N ATOM 529 CA SER A 51 -13.131 4.039 -0.049 1.00 0.00 C ATOM 530 C SER A 51 -13.259 2.551 0.342 1.00 0.00 C ATOM 531 O SER A 51 -14.348 2.059 0.617 1.00 0.00 O ATOM 532 CB SER A 51 -12.064 4.703 0.827 1.00 0.00 C ATOM 533 OG SER A 51 -11.863 6.063 0.431 1.00 0.00 O ATOM 0 H SER A 51 -14.609 5.230 -0.955 1.00 0.00 H new ATOM 0 HA SER A 51 -12.835 4.039 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.369 4.664 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.126 4.153 0.747 1.00 0.00 H new ATOM 0 HG SER A 51 -12.127 6.659 1.163 1.00 0.00 H new ATOM 536 N ASP A 52 -12.165 1.813 0.134 1.00 0.00 N ATOM 537 CA ASP A 52 -12.059 0.376 0.501 1.00 0.00 C ATOM 538 C ASP A 52 -11.038 0.060 1.619 1.00 0.00 C ATOM 539 O ASP A 52 -11.245 -0.861 2.408 1.00 0.00 O ATOM 540 CB ASP A 52 -11.720 -0.476 -0.728 1.00 0.00 C ATOM 541 CG ASP A 52 -12.818 -0.484 -1.796 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.776 0.437 -2.650 1.00 0.00 O ATOM 543 OD2 ASP A 52 -13.576 -1.471 -1.829 1.00 0.00 O ATOM 0 H ASP A 52 -11.318 2.186 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.043 0.125 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.796 -0.105 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.530 -1.500 -0.407 1.00 0.00 H new ATOM 545 N TYR A 53 -9.884 0.723 1.560 1.00 0.00 N ATOM 546 CA TYR A 53 -8.827 0.611 2.586 1.00 0.00 C ATOM 547 C TYR A 53 -9.056 1.586 3.750 1.00 0.00 C ATOM 548 O TYR A 53 -9.174 2.792 3.537 1.00 0.00 O ATOM 549 CB TYR A 53 -7.463 0.914 1.963 1.00 0.00 C ATOM 550 CG TYR A 53 -6.535 -0.296 1.805 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.592 -1.381 2.672 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.616 -0.302 0.766 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.788 -2.491 2.465 1.00 0.00 C ATOM 554 CE2 TYR A 53 -4.798 -1.405 0.565 1.00 0.00 C ATOM 555 CZ TYR A 53 -4.924 -2.523 1.381 1.00 0.00 C ATOM 556 OH TYR A 53 -4.504 -3.729 0.927 1.00 0.00 O ATOM 0 H TYR A 53 -9.647 1.359 0.798 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.857 -0.408 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.621 1.361 0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.959 1.661 2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.268 -1.359 3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.537 0.554 0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.834 -3.328 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.063 -1.395 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.253 -3.654 -0.017 1.00 0.00 H new ATOM 563 N ILE A 54 -8.975 1.041 4.958 1.00 0.00 N ATOM 564 CA ILE A 54 -9.224 1.818 6.193 1.00 0.00 C ATOM 565 C ILE A 54 -7.932 1.905 7.031 1.00 0.00 C ATOM 566 O ILE A 54 -7.292 0.893 7.321 1.00 0.00 O ATOM 567 CB ILE A 54 -10.360 1.190 7.032 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.585 0.722 6.214 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.784 2.127 8.174 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.296 1.771 5.344 1.00 0.00 C ATOM 0 H ILE A 54 -8.739 0.062 5.122 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.535 2.822 5.904 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.934 0.279 7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.265 -0.093 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.316 0.309 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.585 1.661 8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.931 2.315 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.138 3.071 7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.135 1.306 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.662 2.580 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.595 2.172 4.612 1.00 0.00 H new ATOM 572 N CYS A 55 -7.512 3.147 7.252 1.00 0.00 N ATOM 573 CA CYS A 55 -6.407 3.490 8.172 1.00 0.00 C ATOM 574 C CYS A 55 -6.734 3.122 9.623 1.00 0.00 C ATOM 575 O CYS A 55 -7.647 3.673 10.233 1.00 0.00 O ATOM 576 CB CYS A 55 -6.008 4.970 8.112 1.00 0.00 C ATOM 577 SG CYS A 55 -4.648 5.365 9.282 1.00 0.00 S ATOM 0 H CYS A 55 -7.927 3.960 6.797 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.561 2.895 7.827 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.698 5.221 7.098 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.875 5.589 8.342 1.00 0.00 H new ATOM 579 N LYS A 56 -6.060 2.070 10.058 1.00 0.00 N ATOM 580 CA LYS A 56 -5.990 1.728 11.493 1.00 0.00 C ATOM 581 C LYS A 56 -4.978 2.594 12.268 1.00 0.00 C ATOM 582 O LYS A 56 -5.304 3.081 13.347 1.00 0.00 O ATOM 583 CB LYS A 56 -5.775 0.222 11.703 1.00 0.00 C ATOM 584 CG LYS A 56 -4.604 -0.375 10.916 1.00 0.00 C ATOM 585 CD LYS A 56 -4.529 -1.902 10.960 1.00 0.00 C ATOM 586 CE LYS A 56 -4.256 -2.478 12.351 1.00 0.00 C ATOM 587 NZ LYS A 56 -4.262 -3.944 12.292 1.00 0.00 N ATOM 0 H LYS A 56 -5.550 1.431 9.449 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.962 1.971 11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.613 0.037 12.765 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.688 -0.304 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.680 -0.057 9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.673 0.034 11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.468 -2.311 10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.744 -2.236 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.293 -2.124 12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.013 -2.130 13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.566 -4.327 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.920 -4.259 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.305 -4.287 12.074 1.00 0.00 H new ATOM 592 N TYR A 57 -3.816 2.843 11.653 1.00 0.00 N ATOM 593 CA TYR A 57 -2.714 3.666 12.215 1.00 0.00 C ATOM 594 C TYR A 57 -1.478 3.719 11.296 1.00 0.00 C ATOM 595 O TYR A 57 -1.336 2.964 10.332 1.00 0.00 O ATOM 596 CB TYR A 57 -2.283 3.239 13.634 1.00 0.00 C ATOM 597 CG TYR A 57 -1.543 1.900 13.786 1.00 0.00 C ATOM 598 CD1 TYR A 57 -1.909 0.768 13.074 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.521 1.805 14.721 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.267 -0.441 13.282 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.146 0.603 14.913 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.203 -0.518 14.169 1.00 0.00 C ATOM 603 OH TYR A 57 0.718 -1.489 13.972 1.00 0.00 O ATOM 0 H TYR A 57 -3.601 2.473 10.727 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.141 4.667 12.284 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.644 4.023 14.040 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.176 3.201 14.258 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.706 0.830 12.347 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.243 2.672 15.302 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.595 -1.324 12.754 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.939 0.539 15.643 1.00 0.00 H new ATOM 0 HH TYR A 57 1.410 -1.429 14.664 1.00 0.00 H new ATOM 610 N ILE A 58 -0.610 4.662 11.631 1.00 0.00 N ATOM 611 CA ILE A 58 0.700 4.868 10.985 1.00 0.00 C ATOM 612 C ILE A 58 1.845 4.433 11.925 1.00 0.00 C ATOM 613 O ILE A 58 1.786 4.650 13.132 1.00 0.00 O ATOM 614 CB ILE A 58 0.828 6.349 10.561 1.00 0.00 C ATOM 615 CG1 ILE A 58 2.118 6.640 9.787 1.00 0.00 C ATOM 616 CG2 ILE A 58 0.725 7.330 11.735 1.00 0.00 C ATOM 617 CD1 ILE A 58 2.180 5.922 8.445 1.00 0.00 C ATOM 0 H ILE A 58 -0.793 5.330 12.380 1.00 0.00 H new ATOM 0 HA ILE A 58 0.774 4.248 10.092 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.025 6.507 9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.202 7.714 9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.974 6.342 10.393 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.823 8.351 11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.242 7.212 12.224 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.521 7.125 12.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.116 6.167 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.126 4.845 8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.342 6.239 7.824 1.00 0.00 H new ATOM 619 N ASN A 59 2.910 3.923 11.318 1.00 0.00 N ATOM 620 CA ASN A 59 4.160 3.618 12.037 1.00 0.00 C ATOM 621 C ASN A 59 5.319 4.527 11.603 1.00 0.00 C ATOM 622 O ASN A 59 6.059 4.254 10.654 1.00 0.00 O ATOM 623 CB ASN A 59 4.509 2.133 11.925 1.00 0.00 C ATOM 624 CG ASN A 59 3.785 1.328 13.006 1.00 0.00 C ATOM 625 OD1 ASN A 59 4.246 1.217 14.132 1.00 0.00 O ATOM 626 ND2 ASN A 59 2.622 0.804 12.694 1.00 0.00 N ATOM 0 H ASN A 59 2.941 3.707 10.322 1.00 0.00 H new ATOM 0 HA ASN A 59 3.991 3.833 13.092 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.230 1.761 10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.586 1.998 12.023 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.087 0.294 13.397 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.253 0.907 11.749 1.00 0.00 H new ATOM 630 N THR A 60 5.449 5.612 12.367 1.00 0.00 N ATOM 631 CA THR A 60 6.558 6.599 12.280 1.00 0.00 C ATOM 632 C THR A 60 7.887 6.024 12.836 1.00 0.00 C ATOM 633 O THR A 60 8.749 6.737 13.343 1.00 0.00 O ATOM 634 CB THR A 60 6.200 7.894 13.037 1.00 0.00 C ATOM 635 OG1 THR A 60 4.794 8.159 12.949 1.00 0.00 O ATOM 636 CG2 THR A 60 6.939 9.100 12.445 1.00 0.00 C ATOM 0 H THR A 60 4.770 5.848 13.091 1.00 0.00 H new ATOM 0 HA THR A 60 6.699 6.826 11.223 1.00 0.00 H new ATOM 0 HB THR A 60 6.495 7.748 14.076 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.585 8.983 13.436 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.668 10.000 12.998 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.015 8.939 12.518 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.660 9.220 11.398 1.00 0.00 H new ATOM 639 N GLU A 61 8.052 4.722 12.648 1.00 0.00 N ATOM 640 CA GLU A 61 9.240 3.947 13.062 1.00 0.00 C ATOM 641 C GLU A 61 10.151 3.680 11.848 1.00 0.00 C ATOM 642 O GLU A 61 11.368 3.815 11.932 1.00 0.00 O ATOM 643 CB GLU A 61 8.805 2.608 13.677 1.00 0.00 C ATOM 644 CG GLU A 61 7.935 2.752 14.935 1.00 0.00 C ATOM 645 CD GLU A 61 8.648 3.421 16.117 1.00 0.00 C ATOM 646 OE1 GLU A 61 9.812 3.050 16.388 1.00 0.00 O ATOM 647 OE2 GLU A 61 8.009 4.314 16.713 1.00 0.00 O ATOM 0 H GLU A 61 7.346 4.146 12.189 1.00 0.00 H new ATOM 0 HA GLU A 61 9.791 4.525 13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.253 2.039 12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.694 2.029 13.927 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.047 3.332 14.685 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.594 1.764 15.243 1.00 0.00 H new ATOM 649 N HIS A 62 9.523 3.311 10.734 1.00 0.00 N ATOM 650 CA HIS A 62 10.214 3.096 9.447 1.00 0.00 C ATOM 651 C HIS A 62 9.396 3.666 8.263 1.00 0.00 C ATOM 652 O HIS A 62 9.250 3.038 7.221 1.00 0.00 O ATOM 653 CB HIS A 62 10.467 1.588 9.325 1.00 0.00 C ATOM 654 CG HIS A 62 11.583 1.252 8.335 1.00 0.00 C ATOM 655 ND1 HIS A 62 12.755 1.873 8.230 1.00 0.00 N ATOM 656 CD2 HIS A 62 11.532 0.306 7.404 1.00 0.00 C ATOM 657 CE1 HIS A 62 13.424 1.313 7.228 1.00 0.00 C ATOM 658 NE2 HIS A 62 12.669 0.345 6.713 1.00 0.00 N ATOM 0 H HIS A 62 8.517 3.150 10.689 1.00 0.00 H new ATOM 0 HA HIS A 62 11.163 3.631 9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.724 1.187 10.305 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.548 1.094 9.010 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.711 -0.376 7.237 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.410 1.595 6.890 1.00 0.00 H new ATOM 0 HE2 HIS A 62 12.917 -0.259 5.929 1.00 0.00 H new ATOM 661 N LYS A 63 8.788 4.832 8.497 1.00 0.00 N ATOM 662 CA LYS A 63 7.931 5.556 7.525 1.00 0.00 C ATOM 663 C LYS A 63 6.878 4.710 6.771 1.00 0.00 C ATOM 664 O LYS A 63 6.489 5.019 5.643 1.00 0.00 O ATOM 665 CB LYS A 63 8.816 6.365 6.568 1.00 0.00 C ATOM 666 CG LYS A 63 8.978 7.827 6.990 1.00 0.00 C ATOM 667 CD LYS A 63 9.823 7.998 8.253 1.00 0.00 C ATOM 668 CE LYS A 63 9.695 9.432 8.763 1.00 0.00 C ATOM 669 NZ LYS A 63 10.506 9.627 9.971 1.00 0.00 N ATOM 0 H LYS A 63 8.874 5.320 9.388 1.00 0.00 H new ATOM 0 HA LYS A 63 7.310 6.222 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.800 5.899 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.387 6.328 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.438 8.385 6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.993 8.262 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.494 7.297 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.867 7.769 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.014 10.129 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.650 9.654 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.406 10.608 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.183 8.976 10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.505 9.436 9.753 1.00 0.00 H new ATOM 674 N GLN A 64 6.237 3.826 7.527 1.00 0.00 N ATOM 675 CA GLN A 64 5.319 2.809 6.970 1.00 0.00 C ATOM 676 C GLN A 64 3.879 2.934 7.499 1.00 0.00 C ATOM 677 O GLN A 64 3.658 3.204 8.678 1.00 0.00 O ATOM 678 CB GLN A 64 5.891 1.407 7.215 1.00 0.00 C ATOM 679 CG GLN A 64 6.041 1.024 8.691 1.00 0.00 C ATOM 680 CD GLN A 64 6.763 -0.312 8.875 1.00 0.00 C ATOM 681 OE1 GLN A 64 7.840 -0.387 9.442 1.00 0.00 O ATOM 682 NE2 GLN A 64 6.166 -1.394 8.424 1.00 0.00 N ATOM 0 H GLN A 64 6.331 3.784 8.542 1.00 0.00 H new ATOM 0 HA GLN A 64 5.248 2.986 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.245 0.676 6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.867 1.339 6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.592 1.807 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.055 0.967 9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.265 -1.320 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.604 -2.307 8.547 1.00 0.00 H new ATOM 686 N LEU A 65 2.932 2.616 6.624 1.00 0.00 N ATOM 687 CA LEU A 65 1.488 2.703 6.933 1.00 0.00 C ATOM 688 C LEU A 65 0.887 1.315 7.211 1.00 0.00 C ATOM 689 O LEU A 65 1.311 0.333 6.605 1.00 0.00 O ATOM 690 CB LEU A 65 0.780 3.485 5.807 1.00 0.00 C ATOM 691 CG LEU A 65 -0.261 2.782 4.920 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.000 3.818 4.077 1.00 0.00 C ATOM 693 CD2 LEU A 65 0.368 1.771 3.964 1.00 0.00 C ATOM 0 H LEU A 65 3.131 2.290 5.678 1.00 0.00 H new ATOM 0 HA LEU A 65 1.334 3.258 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.288 4.342 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.555 3.878 5.149 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.937 2.253 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.737 3.317 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.504 4.528 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.287 4.349 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.412 1.305 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.075 2.280 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.891 1.005 4.537 1.00 0.00 H new ATOM 695 N THR A 66 -0.074 1.281 8.129 1.00 0.00 N ATOM 696 CA THR A 66 -0.804 0.040 8.470 1.00 0.00 C ATOM 697 C THR A 66 -2.302 0.240 8.175 1.00 0.00 C ATOM 698 O THR A 66 -2.961 1.061 8.814 1.00 0.00 O ATOM 699 CB THR A 66 -0.644 -0.341 9.950 1.00 0.00 C ATOM 700 OG1 THR A 66 0.633 0.000 10.502 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.809 -1.852 10.092 1.00 0.00 C ATOM 0 H THR A 66 -0.375 2.099 8.659 1.00 0.00 H new ATOM 0 HA THR A 66 -0.385 -0.765 7.866 1.00 0.00 H new ATOM 0 HB THR A 66 -1.404 0.222 10.492 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.670 -0.283 11.439 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.697 -2.133 11.139 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.799 -2.144 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.049 -2.359 9.497 1.00 0.00 H new ATOM 704 N LEU A 67 -2.774 -0.428 7.124 1.00 0.00 N ATOM 705 CA LEU A 67 -4.185 -0.355 6.668 1.00 0.00 C ATOM 706 C LEU A 67 -4.851 -1.726 6.475 1.00 0.00 C ATOM 707 O LEU A 67 -4.232 -2.631 5.919 1.00 0.00 O ATOM 708 CB LEU A 67 -4.276 0.406 5.338 1.00 0.00 C ATOM 709 CG LEU A 67 -4.714 1.868 5.496 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.642 2.722 6.168 1.00 0.00 C ATOM 711 CD2 LEU A 67 -5.068 2.472 4.140 1.00 0.00 C ATOM 0 H LEU A 67 -2.194 -1.043 6.553 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.718 0.164 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.304 0.378 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.980 -0.107 4.683 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.595 1.865 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.998 3.748 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.429 2.324 7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.733 2.704 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.376 3.509 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.197 2.433 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.884 1.906 3.691 1.00 0.00 H new ATOM 713 N TYR A 68 -6.145 -1.792 6.779 1.00 0.00 N ATOM 714 CA TYR A 68 -6.947 -3.009 6.520 1.00 0.00 C ATOM 715 C TYR A 68 -8.043 -2.807 5.463 1.00 0.00 C ATOM 716 O TYR A 68 -8.705 -1.771 5.403 1.00 0.00 O ATOM 717 CB TYR A 68 -7.543 -3.637 7.788 1.00 0.00 C ATOM 718 CG TYR A 68 -8.494 -2.719 8.563 1.00 0.00 C ATOM 719 CD1 TYR A 68 -9.838 -2.623 8.224 1.00 0.00 C ATOM 720 CD2 TYR A 68 -7.991 -1.978 9.617 1.00 0.00 C ATOM 721 CE1 TYR A 68 -10.673 -1.776 8.938 1.00 0.00 C ATOM 722 CE2 TYR A 68 -8.818 -1.128 10.331 1.00 0.00 C ATOM 723 CZ TYR A 68 -10.157 -1.025 9.990 1.00 0.00 C ATOM 724 OH TYR A 68 -10.950 -0.177 10.691 1.00 0.00 O ATOM 0 H TYR A 68 -6.669 -1.026 7.203 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.222 -3.715 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.079 -4.545 7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.729 -3.936 8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.232 -3.207 7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.948 -2.063 9.884 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.719 -1.700 8.679 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.421 -0.547 11.151 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.422 0.263 11.389 1.00 0.00 H new ATOM 731 N ASN A 69 -8.131 -3.803 4.591 1.00 0.00 N ATOM 732 CA ASN A 69 -9.087 -3.839 3.465 1.00 0.00 C ATOM 733 C ASN A 69 -10.424 -4.474 3.882 1.00 0.00 C ATOM 734 O ASN A 69 -10.534 -5.689 4.069 1.00 0.00 O ATOM 735 CB ASN A 69 -8.455 -4.587 2.287 1.00 0.00 C ATOM 736 CG ASN A 69 -9.269 -4.498 0.992 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.489 -4.592 0.962 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.580 -4.368 -0.115 1.00 0.00 N ATOM 0 H ASN A 69 -7.534 -4.629 4.637 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.309 -2.817 3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.458 -4.186 2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.333 -5.636 2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.060 -4.344 -1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.564 -4.291 -0.077 1.00 0.00 H new ATOM 742 N LYS A 70 -11.440 -3.617 3.885 1.00 0.00 N ATOM 743 CA LYS A 70 -12.821 -4.002 4.246 1.00 0.00 C ATOM 744 C LYS A 70 -13.555 -4.988 3.314 1.00 0.00 C ATOM 745 O LYS A 70 -14.576 -5.553 3.697 1.00 0.00 O ATOM 746 CB LYS A 70 -13.668 -2.763 4.540 1.00 0.00 C ATOM 747 CG LYS A 70 -13.796 -2.619 6.057 1.00 0.00 C ATOM 748 CD LYS A 70 -14.772 -1.510 6.451 1.00 0.00 C ATOM 749 CE LYS A 70 -15.155 -1.610 7.931 1.00 0.00 C ATOM 750 NZ LYS A 70 -15.978 -2.803 8.191 1.00 0.00 N ATOM 0 H LYS A 70 -11.340 -2.632 3.639 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.689 -4.596 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.203 -1.875 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.653 -2.859 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.132 -3.564 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.816 -2.407 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.320 -0.538 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.669 -1.575 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.252 -1.648 8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.703 -0.716 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.496 -2.679 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.656 -2.934 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.364 -3.640 8.260 1.00 0.00 H new ATOM 755 N ASN A 71 -12.967 -5.267 2.153 1.00 0.00 N ATOM 756 CA ASN A 71 -13.468 -6.296 1.215 1.00 0.00 C ATOM 757 C ASN A 71 -12.510 -7.477 0.955 1.00 0.00 C ATOM 758 O ASN A 71 -12.636 -8.197 -0.036 1.00 0.00 O ATOM 759 CB ASN A 71 -13.884 -5.631 -0.101 1.00 0.00 C ATOM 760 CG ASN A 71 -15.335 -5.143 -0.066 1.00 0.00 C ATOM 761 OD1 ASN A 71 -15.649 -4.005 -0.380 1.00 0.00 O ATOM 762 ND2 ASN A 71 -16.251 -6.008 0.313 1.00 0.00 N ATOM 0 H ASN A 71 -12.127 -4.790 1.826 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.328 -6.751 1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.223 -4.788 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.760 -6.340 -0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -17.232 -5.730 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -15.980 -6.956 0.574 1.00 0.00 H new ATOM 766 N ASN A 72 -11.588 -7.706 1.884 1.00 0.00 N ATOM 767 CA ASN A 72 -10.656 -8.851 1.801 1.00 0.00 C ATOM 768 C ASN A 72 -10.529 -9.684 3.092 1.00 0.00 C ATOM 769 O ASN A 72 -9.464 -10.185 3.435 1.00 0.00 O ATOM 770 CB ASN A 72 -9.304 -8.317 1.325 1.00 0.00 C ATOM 771 CG ASN A 72 -8.922 -8.737 -0.097 1.00 0.00 C ATOM 772 OD1 ASN A 72 -7.791 -9.102 -0.372 1.00 0.00 O ATOM 773 ND2 ASN A 72 -9.855 -8.741 -1.022 1.00 0.00 N ATOM 0 H ASN A 72 -11.457 -7.120 2.708 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.068 -9.565 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.318 -7.228 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.530 -8.659 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.633 -9.049 -1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.801 -8.436 -0.793 1.00 0.00 H new ATOM 777 N SER A 73 -11.651 -9.815 3.799 1.00 0.00 N ATOM 778 CA SER A 73 -11.760 -10.518 5.100 1.00 0.00 C ATOM 779 C SER A 73 -10.707 -10.059 6.136 1.00 0.00 C ATOM 780 O SER A 73 -9.957 -10.832 6.730 1.00 0.00 O ATOM 781 CB SER A 73 -11.751 -12.041 4.907 1.00 0.00 C ATOM 782 OG SER A 73 -12.365 -12.657 6.042 1.00 0.00 O ATOM 0 H SER A 73 -12.540 -9.428 3.483 1.00 0.00 H new ATOM 0 HA SER A 73 -12.725 -10.237 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.288 -12.308 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.728 -12.400 4.791 1.00 0.00 H new ATOM 0 HG SER A 73 -12.365 -13.630 5.926 1.00 0.00 H new ATOM 785 N SER A 74 -10.723 -8.745 6.368 1.00 0.00 N ATOM 786 CA SER A 74 -9.892 -8.009 7.354 1.00 0.00 C ATOM 787 C SER A 74 -8.359 -8.002 7.141 1.00 0.00 C ATOM 788 O SER A 74 -7.610 -7.829 8.109 1.00 0.00 O ATOM 789 CB SER A 74 -10.242 -8.453 8.789 1.00 0.00 C ATOM 790 OG SER A 74 -9.676 -9.737 9.096 1.00 0.00 O ATOM 0 H SER A 74 -11.345 -8.123 5.852 1.00 0.00 H new ATOM 0 HA SER A 74 -10.164 -6.968 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.874 -7.713 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.325 -8.495 8.904 1.00 0.00 H new ATOM 0 HG SER A 74 -9.463 -10.208 8.263 1.00 0.00 H new ATOM 793 N ILE A 75 -7.904 -8.030 5.885 1.00 0.00 N ATOM 794 CA ILE A 75 -6.448 -8.014 5.606 1.00 0.00 C ATOM 795 C ILE A 75 -5.807 -6.652 5.909 1.00 0.00 C ATOM 796 O ILE A 75 -6.165 -5.621 5.345 1.00 0.00 O ATOM 797 CB ILE A 75 -5.962 -8.504 4.226 1.00 0.00 C ATOM 798 CG1 ILE A 75 -6.411 -7.618 3.057 1.00 0.00 C ATOM 799 CG2 ILE A 75 -6.332 -9.978 4.021 1.00 0.00 C ATOM 800 CD1 ILE A 75 -5.427 -7.641 1.882 1.00 0.00 C ATOM 0 H ILE A 75 -8.499 -8.063 5.057 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.106 -8.779 6.303 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.875 -8.419 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.390 -7.949 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.527 -6.593 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.982 -10.308 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.863 -10.582 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.415 -10.093 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.797 -6.996 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.453 -7.283 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.330 -8.660 1.509 1.00 0.00 H new ATOM 802 N VAL A 76 -4.730 -6.765 6.661 1.00 0.00 N ATOM 803 CA VAL A 76 -3.907 -5.640 7.132 1.00 0.00 C ATOM 804 C VAL A 76 -2.604 -5.671 6.318 1.00 0.00 C ATOM 805 O VAL A 76 -1.886 -6.667 6.322 1.00 0.00 O ATOM 806 CB VAL A 76 -3.603 -5.808 8.632 1.00 0.00 C ATOM 807 CG1 VAL A 76 -2.737 -4.668 9.167 1.00 0.00 C ATOM 808 CG2 VAL A 76 -4.869 -5.894 9.484 1.00 0.00 C ATOM 0 H VAL A 76 -4.382 -7.669 6.979 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.424 -4.689 7.000 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.061 -6.751 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.545 -4.824 10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.791 -4.646 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.257 -3.720 9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.595 -6.012 10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.452 -4.981 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.464 -6.750 9.166 1.00 0.00 H new ATOM 810 N ILE A 77 -2.368 -4.601 5.579 1.00 0.00 N ATOM 811 CA ILE A 77 -1.074 -4.418 4.893 1.00 0.00 C ATOM 812 C ILE A 77 -0.297 -3.266 5.537 1.00 0.00 C ATOM 813 O ILE A 77 -0.849 -2.215 5.871 1.00 0.00 O ATOM 814 CB ILE A 77 -1.161 -4.244 3.364 1.00 0.00 C ATOM 815 CG1 ILE A 77 -1.880 -2.956 2.938 1.00 0.00 C ATOM 816 CG2 ILE A 77 -1.794 -5.491 2.731 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.393 -2.452 1.573 1.00 0.00 C ATOM 0 H ILE A 77 -3.038 -3.847 5.431 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.535 -5.356 5.028 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.143 -4.137 2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.954 -3.137 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.716 -2.184 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.852 -5.361 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.183 -6.365 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.797 -5.634 3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.928 -1.539 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.324 -2.245 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.581 -3.213 0.816 1.00 0.00 H new ATOM 819 N GLU A 78 0.964 -3.568 5.798 1.00 0.00 N ATOM 820 CA GLU A 78 1.909 -2.583 6.349 1.00 0.00 C ATOM 821 C GLU A 78 3.071 -2.395 5.370 1.00 0.00 C ATOM 822 O GLU A 78 3.828 -3.329 5.102 1.00 0.00 O ATOM 823 CB GLU A 78 2.359 -3.021 7.746 1.00 0.00 C ATOM 824 CG GLU A 78 2.794 -1.809 8.576 1.00 0.00 C ATOM 825 CD GLU A 78 2.974 -2.096 10.072 1.00 0.00 C ATOM 826 OE1 GLU A 78 2.245 -2.960 10.612 1.00 0.00 O ATOM 827 OE2 GLU A 78 3.811 -1.385 10.663 1.00 0.00 O ATOM 0 H GLU A 78 1.369 -4.491 5.639 1.00 0.00 H new ATOM 0 HA GLU A 78 1.429 -1.611 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.544 -3.541 8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.185 -3.728 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.734 -1.429 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.054 -1.018 8.457 1.00 0.00 H new ATOM 829 N ILE A 79 3.015 -1.263 4.672 1.00 0.00 N ATOM 830 CA ILE A 79 3.984 -0.967 3.592 1.00 0.00 C ATOM 831 C ILE A 79 4.779 0.317 3.866 1.00 0.00 C ATOM 832 O ILE A 79 4.227 1.299 4.372 1.00 0.00 O ATOM 833 CB ILE A 79 3.374 -0.957 2.162 1.00 0.00 C ATOM 834 CG1 ILE A 79 2.657 0.346 1.774 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.430 -2.151 1.972 1.00 0.00 C ATOM 836 CD1 ILE A 79 2.486 0.548 0.262 1.00 0.00 C ATOM 0 H ILE A 79 2.319 -0.534 4.825 1.00 0.00 H new ATOM 0 HA ILE A 79 4.676 -1.809 3.608 1.00 0.00 H new ATOM 0 HB ILE A 79 4.228 -1.035 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.674 0.359 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.216 1.189 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.012 -2.128 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.984 -3.079 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.622 -2.096 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.971 1.491 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.466 0.570 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.900 -0.273 -0.151 1.00 0.00 H new ATOM 838 N PHE A 80 6.051 0.284 3.475 1.00 0.00 N ATOM 839 CA PHE A 80 6.913 1.482 3.482 1.00 0.00 C ATOM 840 C PHE A 80 7.199 1.922 2.051 1.00 0.00 C ATOM 841 O PHE A 80 7.441 1.128 1.140 1.00 0.00 O ATOM 842 CB PHE A 80 8.217 1.296 4.284 1.00 0.00 C ATOM 843 CG PHE A 80 9.238 2.455 4.298 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.918 3.783 4.020 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.571 2.146 4.547 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.903 4.757 3.923 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.554 3.128 4.511 1.00 0.00 C ATOM 848 CZ PHE A 80 11.226 4.436 4.184 1.00 0.00 C ATOM 0 H PHE A 80 6.517 -0.561 3.146 1.00 0.00 H new ATOM 0 HA PHE A 80 6.364 2.269 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.944 1.080 5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.723 0.412 3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.884 4.060 3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.847 1.126 4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.638 5.766 3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.578 2.872 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.993 5.195 4.133 1.00 0.00 H new ATOM 855 N ILE A 81 7.034 3.233 1.940 1.00 0.00 N ATOM 856 CA ILE A 81 7.224 4.068 0.755 1.00 0.00 C ATOM 857 C ILE A 81 8.494 4.949 0.866 1.00 0.00 C ATOM 858 O ILE A 81 8.445 6.040 1.439 1.00 0.00 O ATOM 859 CB ILE A 81 5.908 4.866 0.584 1.00 0.00 C ATOM 860 CG1 ILE A 81 5.915 5.696 -0.694 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.540 5.736 1.792 1.00 0.00 C ATOM 862 CD1 ILE A 81 6.006 4.754 -1.883 1.00 0.00 C ATOM 0 H ILE A 81 6.739 3.789 2.742 1.00 0.00 H new ATOM 0 HA ILE A 81 7.410 3.474 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 81 5.128 4.108 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.010 6.300 -0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.759 6.386 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.606 6.261 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.419 5.104 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.333 6.462 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.012 5.333 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.924 4.170 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.148 4.082 -1.882 1.00 0.00 H new ATOM 864 N PRO A 82 9.660 4.428 0.458 1.00 0.00 N ATOM 865 CA PRO A 82 10.917 5.190 0.533 1.00 0.00 C ATOM 866 C PRO A 82 11.045 6.167 -0.656 1.00 0.00 C ATOM 867 O PRO A 82 10.320 7.155 -0.725 1.00 0.00 O ATOM 868 CB PRO A 82 12.025 4.121 0.606 1.00 0.00 C ATOM 869 CG PRO A 82 11.294 2.812 0.902 1.00 0.00 C ATOM 870 CD PRO A 82 9.943 3.003 0.220 1.00 0.00 C ATOM 0 HA PRO A 82 10.976 5.842 1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.578 4.061 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.748 4.355 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.830 1.952 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.184 2.646 1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.990 2.772 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.176 2.360 0.652 1.00 0.00 H new ATOM 871 N ASN A 83 11.817 5.739 -1.654 1.00 0.00 N ATOM 872 CA ASN A 83 12.286 6.441 -2.871 1.00 0.00 C ATOM 873 C ASN A 83 13.385 5.540 -3.474 1.00 0.00 C ATOM 874 O ASN A 83 13.390 4.344 -3.182 1.00 0.00 O ATOM 875 CB ASN A 83 12.798 7.861 -2.549 1.00 0.00 C ATOM 876 CG ASN A 83 13.907 7.906 -1.490 1.00 0.00 C ATOM 877 OD1 ASN A 83 13.692 7.762 -0.297 1.00 0.00 O ATOM 878 ND2 ASN A 83 15.142 8.069 -1.911 1.00 0.00 N ATOM 0 H ASN A 83 12.175 4.784 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 83 11.476 6.594 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.169 8.318 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.960 8.468 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.912 8.074 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.330 8.190 -2.906 1.00 0.00 H new ATOM 882 N ASP A 84 14.238 6.062 -4.363 1.00 0.00 N ATOM 883 CA ASP A 84 15.431 5.350 -4.890 1.00 0.00 C ATOM 884 C ASP A 84 15.200 3.899 -5.356 1.00 0.00 C ATOM 885 O ASP A 84 16.069 3.036 -5.235 1.00 0.00 O ATOM 886 CB ASP A 84 16.591 5.408 -3.882 1.00 0.00 C ATOM 887 CG ASP A 84 17.483 6.638 -4.064 1.00 0.00 C ATOM 888 OD1 ASP A 84 16.914 7.739 -4.262 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.712 6.463 -3.946 1.00 0.00 O ATOM 0 H ASP A 84 14.127 7.000 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 84 15.686 5.895 -5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.186 5.407 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 84 17.198 4.508 -3.983 1.00 0.00 H new ATOM 891 N ASN A 85 14.052 3.702 -6.003 1.00 0.00 N ATOM 892 CA ASN A 85 13.540 2.383 -6.431 1.00 0.00 C ATOM 893 C ASN A 85 13.457 1.361 -5.274 1.00 0.00 C ATOM 894 O ASN A 85 14.112 0.326 -5.297 1.00 0.00 O ATOM 895 CB ASN A 85 14.334 1.813 -7.626 1.00 0.00 C ATOM 896 CG ASN A 85 15.051 2.845 -8.504 1.00 0.00 C ATOM 897 OD1 ASN A 85 14.489 3.772 -9.067 1.00 0.00 O ATOM 898 ND2 ASN A 85 16.359 2.858 -8.390 1.00 0.00 N ATOM 0 H ASN A 85 13.430 4.470 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 85 12.517 2.558 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.075 1.111 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.649 1.243 -8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.896 3.637 -8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.838 2.089 -7.922 1.00 0.00 H new ATOM 902 N LYS A 86 12.665 1.673 -4.245 1.00 0.00 N ATOM 903 CA LYS A 86 12.467 0.776 -3.077 1.00 0.00 C ATOM 904 C LYS A 86 11.006 0.771 -2.573 1.00 0.00 C ATOM 905 O LYS A 86 10.321 1.786 -2.690 1.00 0.00 O ATOM 906 CB LYS A 86 13.371 1.225 -1.914 1.00 0.00 C ATOM 907 CG LYS A 86 14.868 1.328 -2.244 1.00 0.00 C ATOM 908 CD LYS A 86 15.597 -0.021 -2.260 1.00 0.00 C ATOM 909 CE LYS A 86 16.610 -0.165 -3.407 1.00 0.00 C ATOM 910 NZ LYS A 86 17.526 0.978 -3.574 1.00 0.00 N ATOM 0 H LYS A 86 12.141 2.546 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 86 12.721 -0.230 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.026 2.198 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.246 0.525 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.983 1.803 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.347 1.980 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.116 -0.154 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.860 -0.821 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.202 -1.065 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.063 -0.313 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.393 0.661 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.063 1.713 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.769 1.368 -2.641 1.00 0.00 H new ATOM 915 N ILE A 87 10.551 -0.394 -2.106 1.00 0.00 N ATOM 916 CA ILE A 87 9.257 -0.621 -1.406 1.00 0.00 C ATOM 917 C ILE A 87 9.215 -2.015 -0.736 1.00 0.00 C ATOM 918 O ILE A 87 9.717 -3.000 -1.278 1.00 0.00 O ATOM 919 CB ILE A 87 8.023 -0.430 -2.329 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.692 -0.569 -1.554 1.00 0.00 C ATOM 921 CG2 ILE A 87 8.089 -1.340 -3.564 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.383 -0.359 -2.324 1.00 0.00 C ATOM 0 H ILE A 87 11.091 -1.254 -2.204 1.00 0.00 H new ATOM 0 HA ILE A 87 9.199 0.145 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 87 8.052 0.595 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.664 -1.566 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.711 0.142 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.208 -1.176 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.985 -1.108 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.121 -2.382 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.538 -0.489 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.363 0.648 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.316 -1.087 -3.133 1.00 0.00 H new ATOM 924 N LEU A 88 8.549 -2.060 0.414 1.00 0.00 N ATOM 925 CA LEU A 88 8.213 -3.309 1.135 1.00 0.00 C ATOM 926 C LEU A 88 6.715 -3.386 1.484 1.00 0.00 C ATOM 927 O LEU A 88 6.136 -2.397 1.931 1.00 0.00 O ATOM 928 CB LEU A 88 9.063 -3.480 2.402 1.00 0.00 C ATOM 929 CG LEU A 88 9.079 -2.249 3.317 1.00 0.00 C ATOM 930 CD1 LEU A 88 8.877 -2.664 4.775 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.409 -1.506 3.164 1.00 0.00 C ATOM 0 H LEU A 88 8.216 -1.221 0.889 1.00 0.00 H new ATOM 0 HA LEU A 88 8.444 -4.129 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.687 -4.334 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.086 -3.716 2.111 1.00 0.00 H new ATOM 0 HG LEU A 88 8.263 -1.587 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.891 -1.779 5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.918 -3.171 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.678 -3.339 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.415 -0.633 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.230 -2.169 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.530 -1.187 2.129 1.00 0.00 H new ATOM 933 N LEU A 89 6.132 -4.551 1.218 1.00 0.00 N ATOM 934 CA LEU A 89 4.703 -4.860 1.465 1.00 0.00 C ATOM 935 C LEU A 89 4.521 -6.176 2.247 1.00 0.00 C ATOM 936 O LEU A 89 5.059 -7.203 1.843 1.00 0.00 O ATOM 937 CB LEU A 89 4.021 -4.919 0.089 1.00 0.00 C ATOM 938 CG LEU A 89 2.510 -5.179 0.044 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.904 -4.429 -1.146 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.229 -6.671 -0.146 1.00 0.00 C ATOM 0 H LEU A 89 6.643 -5.336 0.814 1.00 0.00 H new ATOM 0 HA LEU A 89 4.250 -4.090 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.212 -3.974 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.511 -5.699 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 89 2.073 -4.839 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.830 -4.611 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.087 -3.360 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.363 -4.781 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.152 -6.838 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.674 -7.009 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.660 -7.231 0.684 1.00 0.00 H new ATOM 942 N THR A 90 3.740 -6.131 3.324 1.00 0.00 N ATOM 943 CA THR A 90 3.380 -7.342 4.112 1.00 0.00 C ATOM 944 C THR A 90 1.859 -7.531 4.290 1.00 0.00 C ATOM 945 O THR A 90 1.124 -6.545 4.344 1.00 0.00 O ATOM 946 CB THR A 90 4.138 -7.382 5.456 1.00 0.00 C ATOM 947 OG1 THR A 90 3.946 -8.658 6.073 1.00 0.00 O ATOM 948 CG2 THR A 90 3.746 -6.270 6.436 1.00 0.00 C ATOM 0 H THR A 90 3.334 -5.268 3.686 1.00 0.00 H new ATOM 0 HA THR A 90 3.706 -8.199 3.523 1.00 0.00 H new ATOM 0 HB THR A 90 5.188 -7.214 5.218 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.333 -9.357 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.326 -6.373 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.950 -5.299 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.684 -6.347 6.668 1.00 0.00 H new ATOM 951 N ILE A 91 1.453 -8.788 4.477 1.00 0.00 N ATOM 952 CA ILE A 91 0.033 -9.204 4.608 1.00 0.00 C ATOM 953 C ILE A 91 -0.193 -9.801 6.016 1.00 0.00 C ATOM 954 O ILE A 91 0.524 -10.705 6.444 1.00 0.00 O ATOM 955 CB ILE A 91 -0.360 -10.271 3.559 1.00 0.00 C ATOM 956 CG1 ILE A 91 0.126 -9.988 2.123 1.00 0.00 C ATOM 957 CG2 ILE A 91 -1.870 -10.578 3.588 1.00 0.00 C ATOM 958 CD1 ILE A 91 -0.417 -8.729 1.438 1.00 0.00 C ATOM 0 H ILE A 91 2.105 -9.569 4.545 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.584 -8.320 4.447 1.00 0.00 H new ATOM 0 HB ILE A 91 0.184 -11.163 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.214 -9.921 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.130 -10.847 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.103 -11.332 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.146 -10.952 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.430 -9.668 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.004 -8.650 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.503 -8.791 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.138 -7.850 2.019 1.00 0.00 H new ATOM 960 N MET A 92 -1.247 -9.296 6.641 1.00 0.00 N ATOM 961 CA MET A 92 -1.781 -9.708 7.958 1.00 0.00 C ATOM 962 C MET A 92 -3.317 -9.850 7.884 1.00 0.00 C ATOM 963 O MET A 92 -3.942 -9.339 6.958 1.00 0.00 O ATOM 964 CB MET A 92 -1.404 -8.612 8.962 1.00 0.00 C ATOM 965 CG MET A 92 -1.615 -9.000 10.431 1.00 0.00 C ATOM 966 SD MET A 92 -1.727 -7.571 11.570 1.00 0.00 S ATOM 967 CE MET A 92 -0.109 -6.841 11.417 1.00 0.00 C ATOM 0 H MET A 92 -1.795 -8.541 6.228 1.00 0.00 H new ATOM 0 HA MET A 92 -1.367 -10.670 8.260 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.357 -8.346 8.816 1.00 0.00 H new ATOM 0 HB3 MET A 92 -1.992 -7.720 8.746 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.528 -9.589 10.513 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.793 -9.641 10.749 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.044 -5.962 12.059 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.647 -7.566 11.717 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.061 -6.547 10.381 1.00 0.00 H new ATOM 969 N ASN A 93 -3.903 -10.551 8.849 1.00 0.00 N ATOM 970 CA ASN A 93 -5.373 -10.594 9.025 1.00 0.00 C ATOM 971 C ASN A 93 -5.797 -10.220 10.449 1.00 0.00 C ATOM 972 O ASN A 93 -5.242 -10.729 11.417 1.00 0.00 O ATOM 973 CB ASN A 93 -5.936 -11.966 8.666 1.00 0.00 C ATOM 974 CG ASN A 93 -6.113 -12.115 7.158 1.00 0.00 C ATOM 975 OD1 ASN A 93 -7.108 -11.697 6.589 1.00 0.00 O ATOM 976 ND2 ASN A 93 -5.180 -12.767 6.502 1.00 0.00 N ATOM 0 H ASN A 93 -3.388 -11.106 9.533 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.785 -9.851 8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.267 -12.744 9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.896 -12.109 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.281 -12.931 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.355 -13.109 6.994 1.00 0.00 H new ATOM 980 N THR A 94 -6.829 -9.386 10.516 1.00 0.00 N ATOM 981 CA THR A 94 -7.378 -8.862 11.793 1.00 0.00 C ATOM 982 C THR A 94 -8.225 -9.933 12.510 1.00 0.00 C ATOM 983 O THR A 94 -8.027 -10.210 13.687 1.00 0.00 O ATOM 984 CB THR A 94 -8.249 -7.608 11.595 1.00 0.00 C ATOM 985 OG1 THR A 94 -7.687 -6.721 10.621 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.409 -6.835 12.908 1.00 0.00 C ATOM 0 H THR A 94 -7.321 -9.044 9.691 1.00 0.00 H new ATOM 0 HA THR A 94 -6.514 -8.592 12.400 1.00 0.00 H new ATOM 0 HB THR A 94 -9.220 -7.960 11.247 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.809 -7.099 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.029 -5.954 12.739 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.884 -7.475 13.652 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.429 -6.525 13.269 1.00 0.00 H new ATOM 989 N GLU A 95 -9.123 -10.552 11.749 1.00 0.00 N ATOM 990 CA GLU A 95 -10.064 -11.573 12.260 1.00 0.00 C ATOM 991 C GLU A 95 -9.673 -12.992 11.781 1.00 0.00 C ATOM 992 O GLU A 95 -10.515 -13.867 11.584 1.00 0.00 O ATOM 993 CB GLU A 95 -11.450 -11.107 11.800 1.00 0.00 C ATOM 994 CG GLU A 95 -12.619 -11.757 12.545 1.00 0.00 C ATOM 995 CD GLU A 95 -13.873 -10.891 12.410 1.00 0.00 C ATOM 996 OE1 GLU A 95 -14.513 -10.957 11.338 1.00 0.00 O ATOM 997 OE2 GLU A 95 -14.127 -10.121 13.362 1.00 0.00 O ATOM 0 H GLU A 95 -9.228 -10.366 10.752 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.046 -11.661 13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.515 -10.026 11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.554 -11.315 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.809 -12.752 12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.365 -11.882 13.598 1.00 0.00 H new ATOM 999 N ALA A 96 -8.357 -13.208 11.738 1.00 0.00 N ATOM 1000 CA ALA A 96 -7.669 -14.429 11.255 1.00 0.00 C ATOM 1001 C ALA A 96 -6.142 -14.261 11.468 1.00 0.00 C ATOM 1002 O ALA A 96 -5.736 -13.557 12.388 1.00 0.00 O ATOM 1003 CB ALA A 96 -8.051 -14.726 9.792 1.00 0.00 C ATOM 0 H ALA A 96 -7.695 -12.500 12.056 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.990 -15.299 11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.535 -15.626 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.128 -14.877 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.760 -13.885 9.162 1.00 0.00 H new ATOM 1005 N LEU A 97 -5.312 -14.884 10.633 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.838 -14.856 10.755 1.00 0.00 C ATOM 1007 C LEU A 97 -3.111 -14.488 9.448 1.00 0.00 C ATOM 1008 O LEU A 97 -3.680 -14.585 8.361 1.00 0.00 O ATOM 1009 CB LEU A 97 -3.301 -16.182 11.319 1.00 0.00 C ATOM 1010 CG LEU A 97 -3.803 -17.449 10.611 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -2.695 -18.504 10.596 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -5.019 -18.028 11.343 1.00 0.00 C ATOM 0 H LEU A 97 -5.640 -15.433 9.838 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.619 -14.054 11.460 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.212 -16.165 11.268 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.570 -16.244 12.373 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.086 -17.183 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.054 -19.402 10.093 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.827 -18.113 10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.413 -18.750 11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.361 -18.925 10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.741 -18.281 12.366 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.821 -17.290 11.357 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.929 -13.888 9.628 1.00 0.00 N ATOM 1015 CA GLY A 98 -1.004 -13.579 8.513 1.00 0.00 C ATOM 1016 C GLY A 98 0.199 -12.755 8.993 1.00 0.00 C ATOM 1017 O GLY A 98 0.053 -11.570 9.260 1.00 0.00 O ATOM 0 H GLY A 98 -1.581 -13.601 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.654 -14.507 8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.537 -13.029 7.738 1.00 0.00 H new ATOM 1019 N THR A 99 1.228 -13.469 9.432 1.00 0.00 N ATOM 1020 CA THR A 99 2.512 -12.856 9.857 1.00 0.00 C ATOM 1021 C THR A 99 3.713 -13.646 9.312 1.00 0.00 C ATOM 1022 O THR A 99 4.368 -14.406 10.022 1.00 0.00 O ATOM 1023 CB THR A 99 2.592 -12.728 11.387 1.00 0.00 C ATOM 1024 OG1 THR A 99 2.083 -13.912 12.015 1.00 0.00 O ATOM 1025 CG2 THR A 99 1.892 -11.465 11.900 1.00 0.00 C ATOM 0 H THR A 99 1.212 -14.486 9.509 1.00 0.00 H new ATOM 0 HA THR A 99 2.549 -11.852 9.435 1.00 0.00 H new ATOM 0 HB THR A 99 3.643 -12.625 11.657 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.142 -13.817 12.989 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.975 -11.418 12.986 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.363 -10.585 11.462 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.840 -11.492 11.618 1.00 0.00 H new ATOM 1028 N SER A 100 3.971 -13.418 8.025 1.00 0.00 N ATOM 1029 CA SER A 100 4.988 -14.146 7.217 1.00 0.00 C ATOM 1030 C SER A 100 5.173 -13.627 5.771 1.00 0.00 C ATOM 1031 O SER A 100 6.320 -13.409 5.388 1.00 0.00 O ATOM 1032 CB SER A 100 4.738 -15.665 7.210 1.00 0.00 C ATOM 1033 OG SER A 100 5.682 -16.361 6.389 1.00 0.00 O ATOM 0 H SER A 100 3.474 -12.707 7.488 1.00 0.00 H new ATOM 0 HA SER A 100 5.927 -13.936 7.730 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.794 -16.046 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.729 -15.864 6.850 1.00 0.00 H new ATOM 0 HG SER A 100 5.490 -17.322 6.413 1.00 0.00 H new ATOM 1036 N PRO A 101 4.119 -13.384 4.969 1.00 0.00 N ATOM 1037 CA PRO A 101 4.292 -12.866 3.596 1.00 0.00 C ATOM 1038 C PRO A 101 4.769 -11.406 3.569 1.00 0.00 C ATOM 1039 O PRO A 101 4.222 -10.546 4.259 1.00 0.00 O ATOM 1040 CB PRO A 101 2.934 -13.049 2.919 1.00 0.00 C ATOM 1041 CG PRO A 101 1.944 -12.969 4.078 1.00 0.00 C ATOM 1042 CD PRO A 101 2.686 -13.636 5.235 1.00 0.00 C ATOM 0 HA PRO A 101 5.076 -13.408 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.747 -12.272 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.869 -14.006 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.683 -11.937 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.014 -13.488 3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.383 -13.214 6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.474 -14.704 5.276 1.00 0.00 H new ATOM 1043 N ARG A 102 5.885 -11.217 2.879 1.00 0.00 N ATOM 1044 CA ARG A 102 6.466 -9.891 2.580 1.00 0.00 C ATOM 1045 C ARG A 102 7.054 -9.877 1.158 1.00 0.00 C ATOM 1046 O ARG A 102 7.526 -10.898 0.662 1.00 0.00 O ATOM 1047 CB ARG A 102 7.530 -9.463 3.607 1.00 0.00 C ATOM 1048 CG ARG A 102 8.704 -10.442 3.734 1.00 0.00 C ATOM 1049 CD ARG A 102 8.656 -11.201 5.061 1.00 0.00 C ATOM 1050 NE ARG A 102 9.201 -12.555 4.857 1.00 0.00 N ATOM 1051 CZ ARG A 102 10.381 -13.026 5.268 1.00 0.00 C ATOM 1052 NH1 ARG A 102 11.236 -12.298 5.973 1.00 0.00 N ATOM 1053 NH2 ARG A 102 10.732 -14.261 4.947 1.00 0.00 N ATOM 0 H ARG A 102 6.432 -11.989 2.498 1.00 0.00 H new ATOM 0 HA ARG A 102 5.656 -9.165 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.916 -8.483 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 102 7.055 -9.352 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.680 -11.151 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.645 -9.896 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.234 -10.672 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.630 -11.259 5.425 1.00 0.00 H new ATOM 0 HE ARG A 102 8.609 -13.207 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.003 -11.337 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.127 -12.699 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.104 -14.842 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.631 -14.632 5.255 1.00 0.00 H new ATOM 1060 N MET A 103 6.860 -8.749 0.496 1.00 0.00 N ATOM 1061 CA MET A 103 7.399 -8.507 -0.854 1.00 0.00 C ATOM 1062 C MET A 103 8.226 -7.215 -0.885 1.00 0.00 C ATOM 1063 O MET A 103 7.759 -6.148 -0.487 1.00 0.00 O ATOM 1064 CB MET A 103 6.245 -8.464 -1.855 1.00 0.00 C ATOM 1065 CG MET A 103 6.680 -8.999 -3.223 1.00 0.00 C ATOM 1066 SD MET A 103 7.278 -10.732 -3.198 1.00 0.00 S ATOM 1067 CE MET A 103 5.811 -11.620 -2.715 1.00 0.00 C ATOM 0 H MET A 103 6.324 -7.966 0.871 1.00 0.00 H new ATOM 0 HA MET A 103 8.069 -9.320 -1.132 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.411 -9.056 -1.478 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.888 -7.439 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.839 -8.927 -3.913 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.470 -8.360 -3.616 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.991 -12.692 -2.798 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.559 -11.373 -1.684 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.984 -11.339 -3.368 1.00 0.00 H new ATOM 1069 N THR A 104 9.478 -7.405 -1.281 1.00 0.00 N ATOM 1070 CA THR A 104 10.484 -6.324 -1.358 1.00 0.00 C ATOM 1071 C THR A 104 10.767 -6.038 -2.837 1.00 0.00 C ATOM 1072 O THR A 104 11.447 -6.791 -3.531 1.00 0.00 O ATOM 1073 CB THR A 104 11.802 -6.699 -0.662 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.569 -7.566 0.454 1.00 0.00 O ATOM 1075 CG2 THR A 104 12.507 -5.430 -0.171 1.00 0.00 C ATOM 0 H THR A 104 9.839 -8.317 -1.563 1.00 0.00 H new ATOM 0 HA THR A 104 10.082 -5.449 -0.847 1.00 0.00 H new ATOM 0 HB THR A 104 12.428 -7.221 -1.385 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.424 -7.791 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.441 -5.700 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.719 -4.780 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.863 -4.906 0.535 1.00 0.00 H new ATOM 1078 N PHE A 105 10.148 -4.956 -3.280 1.00 0.00 N ATOM 1079 CA PHE A 105 10.169 -4.501 -4.682 1.00 0.00 C ATOM 1080 C PHE A 105 10.771 -3.089 -4.807 1.00 0.00 C ATOM 1081 O PHE A 105 11.214 -2.496 -3.822 1.00 0.00 O ATOM 1082 CB PHE A 105 8.800 -4.629 -5.386 1.00 0.00 C ATOM 1083 CG PHE A 105 7.536 -5.022 -4.598 1.00 0.00 C ATOM 1084 CD1 PHE A 105 7.235 -4.497 -3.347 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.582 -5.797 -5.248 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.990 -4.702 -2.773 1.00 0.00 C ATOM 1087 CE2 PHE A 105 5.341 -6.027 -4.664 1.00 0.00 C ATOM 1088 CZ PHE A 105 5.040 -5.476 -3.426 1.00 0.00 C ATOM 0 H PHE A 105 9.601 -4.348 -2.670 1.00 0.00 H new ATOM 0 HA PHE A 105 10.830 -5.182 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.595 -3.670 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.919 -5.361 -6.185 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.980 -3.923 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.807 -6.224 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.758 -4.259 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.610 -6.636 -5.175 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.074 -5.648 -2.974 1.00 0.00 H new ATOM 1095 N ILE A 106 10.774 -2.568 -6.028 1.00 0.00 N ATOM 1096 CA ILE A 106 11.535 -1.359 -6.411 1.00 0.00 C ATOM 1097 C ILE A 106 10.697 -0.383 -7.258 1.00 0.00 C ATOM 1098 O ILE A 106 9.949 -0.804 -8.143 1.00 0.00 O ATOM 1099 CB ILE A 106 12.830 -1.748 -7.170 1.00 0.00 C ATOM 1100 CG1 ILE A 106 12.628 -2.397 -8.555 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.808 -2.549 -6.295 1.00 0.00 C ATOM 1102 CD1 ILE A 106 11.847 -3.719 -8.637 1.00 0.00 C ATOM 0 H ILE A 106 10.243 -2.971 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 106 11.800 -0.845 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 106 13.290 -0.785 -7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.120 -1.672 -9.190 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.613 -2.566 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.697 -2.795 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.094 -1.952 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.327 -3.468 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 106 11.792 -4.045 -9.676 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.356 -4.479 -8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 106 10.839 -3.571 -8.249 1.00 0.00 H new ATOM 1104 N LYS A 107 10.850 0.916 -7.002 1.00 0.00 N ATOM 1105 CA LYS A 107 10.258 1.972 -7.856 1.00 0.00 C ATOM 1106 C LYS A 107 11.093 2.166 -9.134 1.00 0.00 C ATOM 1107 O LYS A 107 11.807 3.152 -9.283 1.00 0.00 O ATOM 1108 CB LYS A 107 10.079 3.303 -7.099 1.00 0.00 C ATOM 1109 CG LYS A 107 9.101 4.238 -7.826 1.00 0.00 C ATOM 1110 CD LYS A 107 7.688 3.654 -7.781 1.00 0.00 C ATOM 1111 CE LYS A 107 6.702 4.283 -8.761 1.00 0.00 C ATOM 1112 NZ LYS A 107 5.395 3.638 -8.576 1.00 0.00 N ATOM 0 H LYS A 107 11.380 1.274 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 107 9.261 1.638 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.712 3.103 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.046 3.796 -6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.111 5.223 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.415 4.373 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.746 2.584 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.296 3.767 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.624 5.356 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.049 4.152 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.817 3.774 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.531 2.621 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.911 4.062 -7.759 1.00 0.00 H new ATOM 1117 N HIS A 108 10.985 1.144 -9.987 1.00 0.00 N ATOM 1118 CA HIS A 108 11.573 0.991 -11.345 1.00 0.00 C ATOM 1119 C HIS A 108 12.825 0.097 -11.298 1.00 0.00 C ATOM 1120 O HIS A 108 13.610 0.149 -10.355 1.00 0.00 O ATOM 1121 CB HIS A 108 11.948 2.301 -12.070 1.00 0.00 C ATOM 1122 CG HIS A 108 10.824 3.332 -12.265 1.00 0.00 C ATOM 1123 ND1 HIS A 108 9.674 3.433 -11.599 1.00 0.00 N ATOM 1124 CD2 HIS A 108 10.942 4.432 -13.004 1.00 0.00 C ATOM 1125 CE1 HIS A 108 9.093 4.585 -11.921 1.00 0.00 C ATOM 1126 NE2 HIS A 108 9.878 5.201 -12.799 1.00 0.00 N ATOM 0 H HIS A 108 10.437 0.322 -9.734 1.00 0.00 H new ATOM 0 HA HIS A 108 10.767 0.539 -11.923 1.00 0.00 H new ATOM 0 HB2 HIS A 108 12.754 2.779 -11.513 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.347 2.044 -13.051 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.767 4.662 -13.662 1.00 0.00 H new ATOM 0 HE1 HIS A 108 8.153 4.954 -11.538 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.696 6.104 -13.238 1.00 0.00 H new ATOM 1129 N LYS A 109 12.953 -0.759 -12.312 1.00 0.00 N ATOM 1130 CA LYS A 109 14.128 -1.645 -12.496 1.00 0.00 C ATOM 1131 C LYS A 109 15.061 -1.193 -13.632 1.00 0.00 C ATOM 1132 O LYS A 109 16.284 -1.403 -13.486 1.00 99.99 O ATOM 1133 CG LYS A 109 13.874 -4.002 -11.562 1.00 0.00 C ATOM 1134 CD LYS A 109 15.347 -4.306 -11.255 1.00 0.00 C ATOM 1135 CE LYS A 109 15.595 -4.661 -9.782 1.00 0.00 C ATOM 1136 NZ LYS A 109 14.852 -5.840 -9.304 1.00 0.00 N ATOM 1137 OXT LYS A 109 14.516 -0.673 -14.632 1.00 99.99 O ATOM 0 H LYS A 109 12.246 -0.866 -13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.679 -5.133 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.953 -3.440 -11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.661 -4.836 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.327 -3.804 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.076 -6.009 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.831 -5.672 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.124 -6.672 -9.865 1.00 0.00 H new TER 1142 LYS A 109