USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 881 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 23:sc= -1.75 USER MOD Set 2.2: A 64 MET CE :methyl -107:sc= -3.81! (180deg=-7.82!) 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -15:sc= 0.632 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -58:sc= 0.888 USER MOD Single : A 13 ASN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 14 MET CE :methyl 149:sc= -0.97 (180deg=-3.94!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.19) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -125:sc= -4.04! (180deg=-8.03!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 45 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.0012) USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= -0.0586 (180deg=-0.622) USER MOD Single : A 48 SER OG : rot -170:sc= 0.432 USER MOD Single : A 50 CYS SG : rot -150:sc= -0.57 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.345 (180deg=-0.742) USER MOD Single : A 60 MET CE :methyl 143:sc= -7.61! (180deg=-9.97!) USER MOD Single : A 61 ASN : amide:sc= -1.52! C(o=-1.5!,f=-1.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.525 USER MOD Single : A 81 GLN :FLIP amide:sc= 0.0372 F(o=-1.6!,f=0.037) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 90:sc= -0.817 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 97 HIS : no HE2:sc= -10.3! C(o=-10!,f=-16!) USER MOD Single : A 100 SER OG : rot 156:sc= 0.766 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.665 14.101 -26.065 1.00 0.00 N ATOM 2 CA GLY A 1 -4.683 14.754 -27.363 1.00 0.00 C ATOM 3 C GLY A 1 -4.034 16.138 -27.289 1.00 0.00 C ATOM 4 O GLY A 1 -2.925 16.335 -27.783 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.111 13.164 -26.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.682 13.991 -25.745 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.190 14.679 -25.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.154 14.139 -28.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.711 14.849 -27.712 1.00 0.00 H new ATOM 8 N SER A 2 -4.754 17.061 -26.668 1.00 0.00 N ATOM 9 CA SER A 2 -4.262 18.421 -26.523 1.00 0.00 C ATOM 10 C SER A 2 -4.035 18.740 -25.045 1.00 0.00 C ATOM 11 O SER A 2 -4.874 18.425 -24.202 1.00 0.00 O ATOM 12 CB SER A 2 -5.236 19.427 -27.140 1.00 0.00 C ATOM 13 OG SER A 2 -5.221 19.381 -28.564 1.00 0.00 O ATOM 0 H SER A 2 -5.674 16.894 -26.260 1.00 0.00 H new ATOM 0 HA SER A 2 -3.314 18.501 -27.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.245 19.222 -26.781 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.978 20.432 -26.807 1.00 0.00 H new ATOM 0 HG SER A 2 -5.857 20.036 -28.919 1.00 0.00 H new ATOM 19 N SER A 3 -2.897 19.362 -24.775 1.00 0.00 N ATOM 20 CA SER A 3 -2.549 19.727 -23.412 1.00 0.00 C ATOM 21 C SER A 3 -2.385 18.469 -22.558 1.00 0.00 C ATOM 22 O SER A 3 -2.937 17.418 -22.882 1.00 0.00 O ATOM 23 CB SER A 3 -3.606 20.649 -22.802 1.00 0.00 C ATOM 24 OG SER A 3 -3.285 22.025 -22.985 1.00 0.00 O ATOM 0 H SER A 3 -2.204 19.623 -25.477 1.00 0.00 H new ATOM 0 HA SER A 3 -1.603 20.268 -23.434 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.575 20.440 -23.256 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.700 20.437 -21.737 1.00 0.00 H new ATOM 0 HG SER A 3 -3.985 22.581 -22.583 1.00 0.00 H new ATOM 30 N GLY A 4 -1.625 18.616 -21.483 1.00 0.00 N ATOM 31 CA GLY A 4 -1.382 17.504 -20.580 1.00 0.00 C ATOM 32 C GLY A 4 0.077 17.478 -20.121 1.00 0.00 C ATOM 33 O GLY A 4 0.964 17.095 -20.883 1.00 0.00 O ATOM 0 H GLY A 4 -1.169 19.489 -21.217 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.038 17.585 -19.713 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.627 16.566 -21.079 1.00 0.00 H new ATOM 37 N SER A 5 0.281 17.891 -18.879 1.00 0.00 N ATOM 38 CA SER A 5 1.618 17.920 -18.310 1.00 0.00 C ATOM 39 C SER A 5 1.576 18.528 -16.907 1.00 0.00 C ATOM 40 O SER A 5 1.326 19.722 -16.750 1.00 0.00 O ATOM 41 CB SER A 5 2.579 18.709 -19.202 1.00 0.00 C ATOM 42 OG SER A 5 3.796 18.005 -19.429 1.00 0.00 O ATOM 0 H SER A 5 -0.457 18.208 -18.251 1.00 0.00 H new ATOM 0 HA SER A 5 1.984 16.896 -18.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.098 18.918 -20.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.798 19.671 -18.738 1.00 0.00 H new ATOM 0 HG SER A 5 4.382 18.541 -20.004 1.00 0.00 H new ATOM 48 N SER A 6 1.825 17.678 -15.921 1.00 0.00 N ATOM 49 CA SER A 6 1.819 18.117 -14.536 1.00 0.00 C ATOM 50 C SER A 6 2.540 17.091 -13.659 1.00 0.00 C ATOM 51 O SER A 6 2.745 15.951 -14.072 1.00 0.00 O ATOM 52 CB SER A 6 0.390 18.333 -14.033 1.00 0.00 C ATOM 53 OG SER A 6 -0.303 19.313 -14.800 1.00 0.00 O ATOM 0 H SER A 6 2.032 16.688 -16.054 1.00 0.00 H new ATOM 0 HA SER A 6 2.345 19.070 -14.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.155 17.390 -14.073 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.416 18.642 -12.988 1.00 0.00 H new ATOM 0 HG SER A 6 0.340 19.824 -15.335 1.00 0.00 H new ATOM 59 N GLY A 7 2.906 17.534 -12.465 1.00 0.00 N ATOM 60 CA GLY A 7 3.600 16.668 -11.526 1.00 0.00 C ATOM 61 C GLY A 7 2.694 16.294 -10.352 1.00 0.00 C ATOM 62 O GLY A 7 1.472 16.271 -10.489 1.00 0.00 O ATOM 0 H GLY A 7 2.735 18.481 -12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.931 15.764 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.493 17.170 -11.155 1.00 0.00 H new ATOM 66 N ASP A 8 3.328 16.010 -9.224 1.00 0.00 N ATOM 67 CA ASP A 8 2.594 15.637 -8.026 1.00 0.00 C ATOM 68 C ASP A 8 1.858 14.319 -8.274 1.00 0.00 C ATOM 69 O ASP A 8 1.859 13.803 -9.390 1.00 0.00 O ATOM 70 CB ASP A 8 1.553 16.699 -7.666 1.00 0.00 C ATOM 71 CG ASP A 8 2.047 18.145 -7.754 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.075 18.667 -8.889 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.385 18.695 -6.684 1.00 0.00 O ATOM 0 H ASP A 8 4.342 16.031 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 8 3.309 15.540 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.694 16.583 -8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.201 16.512 -6.651 1.00 0.00 H new ATOM 78 N LYS A 9 1.247 13.812 -7.213 1.00 0.00 N ATOM 79 CA LYS A 9 0.508 12.563 -7.301 1.00 0.00 C ATOM 80 C LYS A 9 1.490 11.409 -7.514 1.00 0.00 C ATOM 81 O LYS A 9 1.667 10.939 -8.636 1.00 0.00 O ATOM 82 CB LYS A 9 -0.574 12.656 -8.379 1.00 0.00 C ATOM 83 CG LYS A 9 -1.349 13.970 -8.266 1.00 0.00 C ATOM 84 CD LYS A 9 -2.854 13.734 -8.415 1.00 0.00 C ATOM 85 CE LYS A 9 -3.419 14.529 -9.594 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.897 14.566 -9.532 1.00 0.00 N ATOM 0 H LYS A 9 1.248 14.243 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.020 12.366 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.117 12.583 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.261 11.815 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.144 14.435 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.008 14.664 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.046 12.671 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.364 14.026 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.023 15.544 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.100 14.076 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.265 15.109 -10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.270 13.596 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.196 15.019 -8.645 1.00 0.00 H new ATOM 100 N PRO A 10 2.118 10.975 -6.389 1.00 0.00 N ATOM 101 CA PRO A 10 3.078 9.884 -6.441 1.00 0.00 C ATOM 102 C PRO A 10 2.369 8.538 -6.606 1.00 0.00 C ATOM 103 O PRO A 10 3.000 7.539 -6.947 1.00 0.00 O ATOM 104 CB PRO A 10 3.861 9.988 -5.142 1.00 0.00 C ATOM 105 CG PRO A 10 3.011 10.835 -4.209 1.00 0.00 C ATOM 106 CD PRO A 10 1.933 11.508 -5.042 1.00 0.00 C ATOM 0 HA PRO A 10 3.746 9.951 -7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.044 9.001 -4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.835 10.448 -5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.562 10.215 -3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.625 11.581 -3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.938 11.281 -4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.041 12.593 -5.027 1.00 0.00 H new ATOM 114 N LEU A 11 1.068 8.556 -6.357 1.00 0.00 N ATOM 115 CA LEU A 11 0.267 7.349 -6.474 1.00 0.00 C ATOM 116 C LEU A 11 -0.652 7.469 -7.692 1.00 0.00 C ATOM 117 O LEU A 11 -1.200 6.472 -8.161 1.00 0.00 O ATOM 118 CB LEU A 11 -0.477 7.071 -5.167 1.00 0.00 C ATOM 119 CG LEU A 11 0.368 7.115 -3.892 1.00 0.00 C ATOM 120 CD1 LEU A 11 -0.493 6.853 -2.655 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.549 6.147 -3.984 1.00 0.00 C ATOM 0 H LEU A 11 0.548 9.387 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 11 0.906 6.482 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.284 7.797 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.941 6.087 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 11 0.781 8.118 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.132 6.890 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.271 7.614 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.954 5.869 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.133 6.198 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.177 5.132 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.179 6.421 -4.830 1.00 0.00 H new ATOM 133 N SER A 12 -0.793 8.697 -8.169 1.00 0.00 N ATOM 134 CA SER A 12 -1.636 8.959 -9.323 1.00 0.00 C ATOM 135 C SER A 12 -1.619 7.756 -10.268 1.00 0.00 C ATOM 136 O SER A 12 -0.650 7.550 -10.998 1.00 0.00 O ATOM 137 CB SER A 12 -1.183 10.221 -10.060 1.00 0.00 C ATOM 138 OG SER A 12 -0.933 9.971 -11.441 1.00 0.00 O ATOM 0 H SER A 12 -0.338 9.521 -7.777 1.00 0.00 H new ATOM 0 HA SER A 12 -2.655 9.122 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.948 10.992 -9.964 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.278 10.609 -9.592 1.00 0.00 H new ATOM 0 HG SER A 12 -0.249 9.275 -11.529 1.00 0.00 H new ATOM 144 N ASN A 13 -2.701 6.994 -10.225 1.00 0.00 N ATOM 145 CA ASN A 13 -2.823 5.817 -11.068 1.00 0.00 C ATOM 146 C ASN A 13 -2.197 4.617 -10.355 1.00 0.00 C ATOM 147 O ASN A 13 -1.324 3.949 -10.907 1.00 0.00 O ATOM 148 CB ASN A 13 -2.089 6.014 -12.396 1.00 0.00 C ATOM 149 CG ASN A 13 -2.742 5.194 -13.510 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.604 5.661 -14.237 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.286 3.948 -13.604 1.00 0.00 N ATOM 0 H ASN A 13 -3.502 7.169 -9.619 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.882 5.649 -11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.095 7.070 -12.666 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.045 5.719 -12.286 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.659 3.321 -14.316 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.563 3.620 -12.964 1.00 0.00 H new ATOM 158 N MET A 14 -2.668 4.380 -9.140 1.00 0.00 N ATOM 159 CA MET A 14 -2.165 3.272 -8.345 1.00 0.00 C ATOM 160 C MET A 14 -3.163 2.884 -7.252 1.00 0.00 C ATOM 161 O MET A 14 -3.597 3.732 -6.474 1.00 0.00 O ATOM 162 CB MET A 14 -0.833 3.666 -7.705 1.00 0.00 C ATOM 163 CG MET A 14 0.259 3.826 -8.765 1.00 0.00 C ATOM 164 SD MET A 14 1.851 4.006 -7.979 1.00 0.00 S ATOM 165 CE MET A 14 1.806 2.612 -6.864 1.00 0.00 C ATOM 0 H MET A 14 -3.393 4.936 -8.686 1.00 0.00 H new ATOM 0 HA MET A 14 -2.022 2.414 -9.001 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.952 4.600 -7.156 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.534 2.907 -6.982 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.266 2.959 -9.425 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.050 4.697 -9.386 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.817 2.234 -6.713 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.389 2.925 -5.907 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.185 1.825 -7.291 1.00 0.00 H new ATOM 175 N LYS A 15 -3.496 1.602 -7.227 1.00 0.00 N ATOM 176 CA LYS A 15 -4.434 1.092 -6.242 1.00 0.00 C ATOM 177 C LYS A 15 -3.662 0.600 -5.016 1.00 0.00 C ATOM 178 O LYS A 15 -2.957 -0.406 -5.085 1.00 0.00 O ATOM 179 CB LYS A 15 -5.341 0.029 -6.866 1.00 0.00 C ATOM 180 CG LYS A 15 -6.722 0.605 -7.186 1.00 0.00 C ATOM 181 CD LYS A 15 -7.468 -0.283 -8.183 1.00 0.00 C ATOM 182 CE LYS A 15 -6.639 -0.500 -9.451 1.00 0.00 C ATOM 183 NZ LYS A 15 -7.517 -0.838 -10.593 1.00 0.00 N ATOM 0 H LYS A 15 -3.133 0.901 -7.873 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.099 1.886 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.883 -0.355 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.444 -0.813 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.304 0.696 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.615 1.609 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.692 -1.245 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.422 0.177 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.068 0.400 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.919 -1.302 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.938 -0.982 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.043 -1.710 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.188 -0.060 -10.757 1.00 0.00 H new ATOM 197 N ILE A 16 -3.822 1.331 -3.923 1.00 0.00 N ATOM 198 CA ILE A 16 -3.149 0.982 -2.684 1.00 0.00 C ATOM 199 C ILE A 16 -4.092 0.149 -1.814 1.00 0.00 C ATOM 200 O ILE A 16 -5.274 0.465 -1.694 1.00 0.00 O ATOM 201 CB ILE A 16 -2.619 2.238 -1.989 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.585 2.952 -2.861 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.068 1.905 -0.601 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.242 3.569 -4.097 1.00 0.00 C ATOM 0 H ILE A 16 -4.408 2.164 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.273 0.365 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.451 2.928 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.090 3.731 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.814 2.246 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.698 2.815 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.860 1.475 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.253 1.188 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.485 4.070 -4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.715 2.784 -4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.995 4.293 -3.786 1.00 0.00 H new ATOM 216 N LEU A 17 -3.533 -0.900 -1.228 1.00 0.00 N ATOM 217 CA LEU A 17 -4.310 -1.781 -0.372 1.00 0.00 C ATOM 218 C LEU A 17 -3.792 -1.677 1.064 1.00 0.00 C ATOM 219 O LEU A 17 -2.678 -1.209 1.294 1.00 0.00 O ATOM 220 CB LEU A 17 -4.304 -3.208 -0.925 1.00 0.00 C ATOM 221 CG LEU A 17 -5.443 -4.114 -0.456 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.144 -4.700 0.926 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.782 -3.373 -0.487 1.00 0.00 C ATOM 0 H LEU A 17 -2.552 -1.160 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.355 -1.473 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.333 -3.155 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.358 -3.677 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.522 -4.950 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.970 -5.340 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.227 -5.287 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.023 -3.891 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.575 -4.040 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.733 -2.505 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.993 -3.045 -1.505 1.00 0.00 H new ATOM 235 N THR A 18 -4.626 -2.120 1.993 1.00 0.00 N ATOM 236 CA THR A 18 -4.267 -2.081 3.401 1.00 0.00 C ATOM 237 C THR A 18 -4.647 -3.396 4.084 1.00 0.00 C ATOM 238 O THR A 18 -5.665 -4.002 3.750 1.00 0.00 O ATOM 239 CB THR A 18 -4.936 -0.856 4.026 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.325 -1.050 3.770 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.597 0.439 3.285 1.00 0.00 C ATOM 0 H THR A 18 -5.549 -2.508 1.799 1.00 0.00 H new ATOM 0 HA THR A 18 -3.189 -1.982 3.532 1.00 0.00 H new ATOM 0 HB THR A 18 -4.630 -0.768 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.834 -0.301 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.097 1.277 3.770 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.519 0.599 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.933 0.365 2.251 1.00 0.00 H new ATOM 249 N LEU A 19 -3.810 -3.800 5.028 1.00 0.00 N ATOM 250 CA LEU A 19 -4.045 -5.032 5.761 1.00 0.00 C ATOM 251 C LEU A 19 -3.773 -4.796 7.248 1.00 0.00 C ATOM 252 O LEU A 19 -2.686 -4.355 7.621 1.00 0.00 O ATOM 253 CB LEU A 19 -3.228 -6.177 5.160 1.00 0.00 C ATOM 254 CG LEU A 19 -4.006 -7.450 4.821 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.339 -8.211 3.673 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.190 -8.328 6.060 1.00 0.00 C ATOM 0 H LEU A 19 -2.967 -3.295 5.302 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.088 -5.335 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.747 -5.816 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.433 -6.436 5.860 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.001 -7.161 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.912 -9.112 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.305 -7.576 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.325 -8.488 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.746 -9.226 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.214 -8.610 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.742 -7.774 6.820 1.00 0.00 H new ATOM 268 N GLY A 20 -4.777 -5.098 8.057 1.00 0.00 N ATOM 269 CA GLY A 20 -4.660 -4.925 9.494 1.00 0.00 C ATOM 270 C GLY A 20 -5.009 -3.493 9.904 1.00 0.00 C ATOM 271 O GLY A 20 -5.600 -2.747 9.124 1.00 0.00 O ATOM 0 H GLY A 20 -5.677 -5.462 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.323 -5.625 10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.644 -5.160 9.811 1.00 0.00 H new ATOM 275 N LYS A 21 -4.630 -3.151 11.127 1.00 0.00 N ATOM 276 CA LYS A 21 -4.896 -1.822 11.649 1.00 0.00 C ATOM 277 C LYS A 21 -3.621 -0.980 11.564 1.00 0.00 C ATOM 278 O LYS A 21 -2.542 -1.443 11.932 1.00 0.00 O ATOM 279 CB LYS A 21 -5.483 -1.908 13.060 1.00 0.00 C ATOM 280 CG LYS A 21 -5.702 -0.513 13.649 1.00 0.00 C ATOM 281 CD LYS A 21 -4.536 -0.111 14.555 1.00 0.00 C ATOM 282 CE LYS A 21 -5.044 0.506 15.859 1.00 0.00 C ATOM 283 NZ LYS A 21 -4.911 -0.457 16.975 1.00 0.00 N ATOM 0 H LYS A 21 -4.141 -3.772 11.771 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.651 -1.320 11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.430 -2.447 13.032 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.811 -2.477 13.703 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.808 0.213 12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.632 -0.496 14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.924 -0.986 14.776 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.896 0.603 14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.480 1.412 16.083 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.088 0.800 15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.260 -0.022 17.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.468 -1.310 16.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.911 -0.717 17.092 1.00 0.00 H new ATOM 297 N LEU A 22 -3.787 0.240 11.076 1.00 0.00 N ATOM 298 CA LEU A 22 -2.663 1.150 10.938 1.00 0.00 C ATOM 299 C LEU A 22 -2.801 2.283 11.958 1.00 0.00 C ATOM 300 O LEU A 22 -3.865 2.467 12.546 1.00 0.00 O ATOM 301 CB LEU A 22 -2.542 1.636 9.492 1.00 0.00 C ATOM 302 CG LEU A 22 -2.312 0.552 8.437 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.847 0.992 7.073 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.836 0.154 8.373 1.00 0.00 C ATOM 0 H LEU A 22 -4.683 0.620 10.771 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.727 0.636 11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.452 2.178 9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.719 2.349 9.437 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.872 -0.336 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.671 0.203 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.917 1.186 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.335 1.901 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.700 -0.618 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.235 1.026 8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.520 -0.230 9.343 1.00 0.00 H new ATOM 316 N SER A 23 -1.709 3.012 12.136 1.00 0.00 N ATOM 317 CA SER A 23 -1.695 4.121 13.074 1.00 0.00 C ATOM 318 C SER A 23 -2.904 5.027 12.833 1.00 0.00 C ATOM 319 O SER A 23 -3.588 5.420 13.776 1.00 0.00 O ATOM 320 CB SER A 23 -0.398 4.924 12.958 1.00 0.00 C ATOM 321 OG SER A 23 -0.307 5.939 13.954 1.00 0.00 O ATOM 0 H SER A 23 -0.828 2.856 11.646 1.00 0.00 H new ATOM 0 HA SER A 23 -1.750 3.715 14.084 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.454 4.251 13.048 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.341 5.380 11.970 1.00 0.00 H new ATOM 0 HG SER A 23 0.536 6.428 13.847 1.00 0.00 H new ATOM 327 N ARG A 24 -3.130 5.331 11.563 1.00 0.00 N ATOM 328 CA ARG A 24 -4.245 6.184 11.185 1.00 0.00 C ATOM 329 C ARG A 24 -5.493 5.339 10.922 1.00 0.00 C ATOM 330 O ARG A 24 -5.451 4.114 11.024 1.00 0.00 O ATOM 331 CB ARG A 24 -3.915 6.999 9.933 1.00 0.00 C ATOM 332 CG ARG A 24 -2.940 8.132 10.258 1.00 0.00 C ATOM 333 CD ARG A 24 -3.373 9.437 9.587 1.00 0.00 C ATOM 334 NE ARG A 24 -2.357 10.488 9.822 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.191 11.124 10.989 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.971 10.821 12.035 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.243 12.064 11.110 1.00 0.00 N ATOM 0 H ARG A 24 -2.561 5.002 10.783 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.434 6.870 12.011 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.481 6.347 9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.831 7.413 9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.888 8.274 11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.938 7.862 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.504 9.279 8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.337 9.757 9.983 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.745 10.744 9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.692 10.105 11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.844 11.306 12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.649 12.294 10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.116 12.549 11.998 1.00 0.00 H new ATOM 351 N ASN A 25 -6.575 6.027 10.588 1.00 0.00 N ATOM 352 CA ASN A 25 -7.833 5.356 10.309 1.00 0.00 C ATOM 353 C ASN A 25 -7.936 5.079 8.808 1.00 0.00 C ATOM 354 O ASN A 25 -7.355 5.800 7.999 1.00 0.00 O ATOM 355 CB ASN A 25 -9.024 6.228 10.712 1.00 0.00 C ATOM 356 CG ASN A 25 -9.206 6.239 12.231 1.00 0.00 C ATOM 357 OD1 ASN A 25 -9.231 5.210 12.887 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.332 7.456 12.752 1.00 0.00 N ATOM 0 H ASN A 25 -6.606 7.043 10.504 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.855 4.429 10.882 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.872 7.246 10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.931 5.854 10.236 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.459 7.570 13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.302 8.276 12.146 1.00 0.00 H new ATOM 365 N LYS A 26 -8.680 4.032 8.482 1.00 0.00 N ATOM 366 CA LYS A 26 -8.867 3.651 7.092 1.00 0.00 C ATOM 367 C LYS A 26 -9.178 4.898 6.263 1.00 0.00 C ATOM 368 O LYS A 26 -8.643 5.069 5.168 1.00 0.00 O ATOM 369 CB LYS A 26 -9.928 2.555 6.975 1.00 0.00 C ATOM 370 CG LYS A 26 -9.789 1.795 5.654 1.00 0.00 C ATOM 371 CD LYS A 26 -10.918 2.162 4.689 1.00 0.00 C ATOM 372 CE LYS A 26 -11.454 0.919 3.975 1.00 0.00 C ATOM 373 NZ LYS A 26 -12.385 0.177 4.855 1.00 0.00 N ATOM 0 H LYS A 26 -9.160 3.436 9.156 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.951 3.220 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.832 1.861 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.922 2.998 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.826 2.025 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.803 0.722 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.726 2.648 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.554 2.880 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.966 1.211 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.625 0.273 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.739 -0.663 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.886 -0.118 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.185 0.791 5.110 1.00 0.00 H new ATOM 387 N ASP A 27 -10.041 5.738 6.816 1.00 0.00 N ATOM 388 CA ASP A 27 -10.429 6.965 6.141 1.00 0.00 C ATOM 389 C ASP A 27 -9.192 7.841 5.935 1.00 0.00 C ATOM 390 O ASP A 27 -8.803 8.115 4.800 1.00 0.00 O ATOM 391 CB ASP A 27 -11.436 7.757 6.976 1.00 0.00 C ATOM 392 CG ASP A 27 -12.875 7.722 6.458 1.00 0.00 C ATOM 393 OD1 ASP A 27 -13.117 6.949 5.505 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.702 8.467 7.026 1.00 0.00 O ATOM 0 H ASP A 27 -10.482 5.593 7.724 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.883 6.697 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.423 7.371 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.108 8.795 7.024 1.00 0.00 H new ATOM 399 N GLU A 28 -8.609 8.258 7.049 1.00 0.00 N ATOM 400 CA GLU A 28 -7.424 9.098 7.005 1.00 0.00 C ATOM 401 C GLU A 28 -6.460 8.600 5.926 1.00 0.00 C ATOM 402 O GLU A 28 -5.795 9.397 5.267 1.00 0.00 O ATOM 403 CB GLU A 28 -6.738 9.152 8.371 1.00 0.00 C ATOM 404 CG GLU A 28 -7.627 9.849 9.404 1.00 0.00 C ATOM 405 CD GLU A 28 -6.805 10.788 10.290 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.269 11.770 9.732 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.731 10.501 11.504 1.00 0.00 O ATOM 0 H GLU A 28 -8.935 8.030 7.988 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.731 10.112 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.508 8.141 8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.790 9.682 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.408 10.414 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.125 9.103 10.023 1.00 0.00 H new ATOM 414 N VAL A 29 -6.415 7.284 5.781 1.00 0.00 N ATOM 415 CA VAL A 29 -5.543 6.670 4.794 1.00 0.00 C ATOM 416 C VAL A 29 -6.202 6.751 3.416 1.00 0.00 C ATOM 417 O VAL A 29 -5.588 7.213 2.456 1.00 0.00 O ATOM 418 CB VAL A 29 -5.207 5.237 5.212 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.377 4.532 4.137 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.488 5.213 6.562 1.00 0.00 C ATOM 0 H VAL A 29 -6.968 6.626 6.330 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.597 7.208 4.734 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.145 4.693 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.152 3.515 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.941 4.501 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.446 5.077 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.261 4.182 6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.561 5.782 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.129 5.657 7.324 1.00 0.00 H new ATOM 430 N LYS A 30 -7.445 6.296 3.362 1.00 0.00 N ATOM 431 CA LYS A 30 -8.195 6.312 2.117 1.00 0.00 C ATOM 432 C LYS A 30 -8.137 7.715 1.510 1.00 0.00 C ATOM 433 O LYS A 30 -8.232 7.873 0.294 1.00 0.00 O ATOM 434 CB LYS A 30 -9.618 5.798 2.343 1.00 0.00 C ATOM 435 CG LYS A 30 -10.489 6.034 1.107 1.00 0.00 C ATOM 436 CD LYS A 30 -11.975 5.989 1.466 1.00 0.00 C ATOM 437 CE LYS A 30 -12.731 5.020 0.554 1.00 0.00 C ATOM 438 NZ LYS A 30 -14.190 5.138 0.768 1.00 0.00 N ATOM 0 H LYS A 30 -7.952 5.914 4.160 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.746 5.632 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.591 4.733 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.058 6.301 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.247 7.001 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.270 5.277 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.092 5.682 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.404 6.987 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.492 5.231 -0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.410 3.998 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.688 4.474 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.415 4.914 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.495 6.109 0.555 1.00 0.00 H new ATOM 452 N ALA A 31 -7.981 8.698 2.384 1.00 0.00 N ATOM 453 CA ALA A 31 -7.909 10.082 1.949 1.00 0.00 C ATOM 454 C ALA A 31 -6.518 10.359 1.374 1.00 0.00 C ATOM 455 O ALA A 31 -6.393 10.879 0.266 1.00 0.00 O ATOM 456 CB ALA A 31 -8.249 11.004 3.121 1.00 0.00 C ATOM 0 H ALA A 31 -7.902 8.563 3.392 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.637 10.275 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.195 12.043 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.257 10.787 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.538 10.841 3.931 1.00 0.00 H new ATOM 462 N MET A 32 -5.508 10.000 2.153 1.00 0.00 N ATOM 463 CA MET A 32 -4.132 10.204 1.735 1.00 0.00 C ATOM 464 C MET A 32 -3.878 9.580 0.361 1.00 0.00 C ATOM 465 O MET A 32 -3.449 10.266 -0.566 1.00 0.00 O ATOM 466 CB MET A 32 -3.188 9.577 2.763 1.00 0.00 C ATOM 467 CG MET A 32 -2.343 10.648 3.456 1.00 0.00 C ATOM 468 SD MET A 32 -1.284 11.455 2.267 1.00 0.00 S ATOM 469 CE MET A 32 0.314 11.065 2.958 1.00 0.00 C ATOM 0 H MET A 32 -5.616 9.569 3.071 1.00 0.00 H new ATOM 0 HA MET A 32 -3.948 11.276 1.666 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.766 9.028 3.506 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.535 8.856 2.271 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.992 11.382 3.934 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.740 10.195 4.243 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.876 11.985 3.117 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.183 10.551 3.910 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.861 10.420 2.270 1.00 0.00 H new ATOM 479 N ILE A 33 -4.154 8.288 0.273 1.00 0.00 N ATOM 480 CA ILE A 33 -3.961 7.564 -0.972 1.00 0.00 C ATOM 481 C ILE A 33 -4.628 8.334 -2.113 1.00 0.00 C ATOM 482 O ILE A 33 -4.131 8.338 -3.238 1.00 0.00 O ATOM 483 CB ILE A 33 -4.450 6.121 -0.835 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.681 5.383 0.263 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.381 5.388 -2.176 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.379 4.074 0.637 1.00 0.00 C ATOM 0 H ILE A 33 -4.510 7.723 1.044 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.900 7.494 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.498 6.143 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.666 5.174 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.598 6.019 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.734 4.365 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.009 5.902 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.350 5.375 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.812 3.570 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.385 4.288 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.439 3.430 -0.240 1.00 0.00 H new ATOM 498 N GLU A 34 -5.745 8.967 -1.784 1.00 0.00 N ATOM 499 CA GLU A 34 -6.485 9.739 -2.767 1.00 0.00 C ATOM 500 C GLU A 34 -5.820 11.099 -2.985 1.00 0.00 C ATOM 501 O GLU A 34 -5.666 11.543 -4.122 1.00 0.00 O ATOM 502 CB GLU A 34 -7.947 9.905 -2.346 1.00 0.00 C ATOM 503 CG GLU A 34 -8.770 8.671 -2.724 1.00 0.00 C ATOM 504 CD GLU A 34 -10.185 9.067 -3.152 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.338 9.429 -4.338 1.00 0.00 O ATOM 506 OE2 GLU A 34 -11.081 8.997 -2.283 1.00 0.00 O ATOM 0 H GLU A 34 -6.155 8.961 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.472 9.195 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.003 10.068 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.369 10.789 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.277 8.135 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.820 7.989 -1.875 1.00 0.00 H new ATOM 513 N LYS A 35 -5.443 11.722 -1.879 1.00 0.00 N ATOM 514 CA LYS A 35 -4.798 13.023 -1.935 1.00 0.00 C ATOM 515 C LYS A 35 -3.480 12.901 -2.703 1.00 0.00 C ATOM 516 O LYS A 35 -3.039 13.855 -3.341 1.00 0.00 O ATOM 517 CB LYS A 35 -4.637 13.602 -0.528 1.00 0.00 C ATOM 518 CG LYS A 35 -3.250 13.292 0.038 1.00 0.00 C ATOM 519 CD LYS A 35 -2.285 14.453 -0.208 1.00 0.00 C ATOM 520 CE LYS A 35 -2.496 15.569 0.818 1.00 0.00 C ATOM 521 NZ LYS A 35 -2.018 16.863 0.282 1.00 0.00 N ATOM 0 H LYS A 35 -5.572 11.350 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.421 13.734 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.789 14.681 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.402 13.189 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.325 13.097 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.859 12.385 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.257 14.094 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.433 14.846 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.553 15.642 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.963 15.331 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.169 17.609 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.004 16.794 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.545 17.096 -0.584 1.00 0.00 H new ATOM 535 N LEU A 36 -2.889 11.718 -2.617 1.00 0.00 N ATOM 536 CA LEU A 36 -1.631 11.459 -3.297 1.00 0.00 C ATOM 537 C LEU A 36 -1.911 11.083 -4.753 1.00 0.00 C ATOM 538 O LEU A 36 -1.004 10.680 -5.480 1.00 0.00 O ATOM 539 CB LEU A 36 -0.818 10.409 -2.537 1.00 0.00 C ATOM 540 CG LEU A 36 -0.233 10.856 -1.195 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.121 9.650 -0.323 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.963 11.787 -1.402 1.00 0.00 C ATOM 0 H LEU A 36 -3.258 10.928 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.014 12.358 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.455 9.542 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.001 10.080 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.994 11.425 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.535 9.995 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.777 9.061 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.858 9.033 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.360 12.090 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.737 11.265 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.645 12.670 -1.956 1.00 0.00 H new ATOM 554 N GLY A 37 -3.171 11.228 -5.137 1.00 0.00 N ATOM 555 CA GLY A 37 -3.582 10.909 -6.493 1.00 0.00 C ATOM 556 C GLY A 37 -3.871 9.413 -6.642 1.00 0.00 C ATOM 557 O GLY A 37 -4.421 8.981 -7.654 1.00 0.00 O ATOM 0 H GLY A 37 -3.921 11.562 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.472 11.482 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.800 11.203 -7.193 1.00 0.00 H new ATOM 561 N GLY A 38 -3.488 8.665 -5.618 1.00 0.00 N ATOM 562 CA GLY A 38 -3.699 7.228 -5.621 1.00 0.00 C ATOM 563 C GLY A 38 -5.171 6.889 -5.377 1.00 0.00 C ATOM 564 O GLY A 38 -6.026 7.773 -5.396 1.00 0.00 O ATOM 0 H GLY A 38 -3.033 9.027 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.380 6.812 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.083 6.765 -4.850 1.00 0.00 H new ATOM 568 N LYS A 39 -5.421 5.607 -5.154 1.00 0.00 N ATOM 569 CA LYS A 39 -6.775 5.141 -4.907 1.00 0.00 C ATOM 570 C LYS A 39 -6.727 3.903 -4.008 1.00 0.00 C ATOM 571 O LYS A 39 -5.921 3.001 -4.230 1.00 0.00 O ATOM 572 CB LYS A 39 -7.513 4.913 -6.228 1.00 0.00 C ATOM 573 CG LYS A 39 -8.297 6.161 -6.640 1.00 0.00 C ATOM 574 CD LYS A 39 -9.663 5.784 -7.217 1.00 0.00 C ATOM 575 CE LYS A 39 -9.726 6.084 -8.716 1.00 0.00 C ATOM 576 NZ LYS A 39 -11.017 6.719 -9.063 1.00 0.00 N ATOM 0 H LYS A 39 -4.709 4.877 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.348 5.900 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.798 4.654 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.194 4.068 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.430 6.813 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.728 6.724 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.854 4.725 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.446 6.337 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.903 6.742 -8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.604 5.161 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.044 6.916 -10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.797 6.078 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.119 7.610 -8.536 1.00 0.00 H new ATOM 590 N LEU A 40 -7.601 3.901 -3.012 1.00 0.00 N ATOM 591 CA LEU A 40 -7.669 2.789 -2.079 1.00 0.00 C ATOM 592 C LEU A 40 -8.585 1.704 -2.650 1.00 0.00 C ATOM 593 O LEU A 40 -9.628 2.008 -3.227 1.00 0.00 O ATOM 594 CB LEU A 40 -8.088 3.279 -0.692 1.00 0.00 C ATOM 595 CG LEU A 40 -7.903 2.284 0.456 1.00 0.00 C ATOM 596 CD1 LEU A 40 -7.039 2.884 1.567 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.254 1.795 0.981 1.00 0.00 C ATOM 0 H LEU A 40 -8.268 4.651 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.684 2.340 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.520 4.180 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.139 3.566 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.373 1.413 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.923 2.157 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.059 3.142 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.519 3.782 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.094 1.089 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.832 2.644 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.800 1.302 0.177 1.00 0.00 H new ATOM 609 N THR A 41 -8.161 0.462 -2.470 1.00 0.00 N ATOM 610 CA THR A 41 -8.930 -0.669 -2.960 1.00 0.00 C ATOM 611 C THR A 41 -9.225 -1.647 -1.821 1.00 0.00 C ATOM 612 O THR A 41 -8.635 -1.550 -0.746 1.00 0.00 O ATOM 613 CB THR A 41 -8.155 -1.301 -4.118 1.00 0.00 C ATOM 614 OG1 THR A 41 -8.902 -2.472 -4.437 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.789 -1.837 -3.685 1.00 0.00 C ATOM 0 H THR A 41 -7.295 0.214 -1.992 1.00 0.00 H new ATOM 0 HA THR A 41 -9.903 -0.353 -3.335 1.00 0.00 H new ATOM 0 HB THR A 41 -8.021 -0.564 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.471 -2.943 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.281 -2.275 -4.544 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.188 -1.020 -3.285 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.924 -2.598 -2.917 1.00 0.00 H new ATOM 623 N GLY A 42 -10.137 -2.568 -2.096 1.00 0.00 N ATOM 624 CA GLY A 42 -10.517 -3.563 -1.107 1.00 0.00 C ATOM 625 C GLY A 42 -9.769 -4.877 -1.336 1.00 0.00 C ATOM 626 O GLY A 42 -9.290 -5.497 -0.388 1.00 0.00 O ATOM 0 H GLY A 42 -10.624 -2.646 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.302 -3.187 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.592 -3.739 -1.157 1.00 0.00 H new ATOM 630 N THR A 43 -9.691 -5.265 -2.601 1.00 0.00 N ATOM 631 CA THR A 43 -9.009 -6.494 -2.967 1.00 0.00 C ATOM 632 C THR A 43 -7.497 -6.270 -3.017 1.00 0.00 C ATOM 633 O THR A 43 -7.037 -5.137 -3.154 1.00 0.00 O ATOM 634 CB THR A 43 -9.595 -6.983 -4.293 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.985 -6.685 -4.190 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.550 -8.507 -4.426 1.00 0.00 C ATOM 0 H THR A 43 -10.089 -4.749 -3.385 1.00 0.00 H new ATOM 0 HA THR A 43 -9.166 -7.271 -2.219 1.00 0.00 H new ATOM 0 HB THR A 43 -9.049 -6.530 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.442 -6.968 -5.009 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.978 -8.801 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.516 -8.847 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.124 -8.960 -3.618 1.00 0.00 H new ATOM 644 N ALA A 44 -6.764 -7.368 -2.904 1.00 0.00 N ATOM 645 CA ALA A 44 -5.313 -7.306 -2.935 1.00 0.00 C ATOM 646 C ALA A 44 -4.824 -7.590 -4.357 1.00 0.00 C ATOM 647 O ALA A 44 -3.942 -6.899 -4.863 1.00 0.00 O ATOM 648 CB ALA A 44 -4.738 -8.290 -1.914 1.00 0.00 C ATOM 0 H ALA A 44 -7.148 -8.306 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.966 -6.310 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.649 -8.244 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.091 -8.028 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.063 -9.301 -2.160 1.00 0.00 H new ATOM 654 N ASN A 45 -5.420 -8.608 -4.961 1.00 0.00 N ATOM 655 CA ASN A 45 -5.056 -8.991 -6.314 1.00 0.00 C ATOM 656 C ASN A 45 -5.332 -7.823 -7.262 1.00 0.00 C ATOM 657 O ASN A 45 -4.609 -7.626 -8.238 1.00 0.00 O ATOM 658 CB ASN A 45 -5.882 -10.189 -6.788 1.00 0.00 C ATOM 659 CG ASN A 45 -5.694 -10.426 -8.288 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.603 -10.684 -8.770 1.00 0.00 O ATOM 661 ND2 ASN A 45 -6.815 -10.325 -8.996 1.00 0.00 N ATOM 0 H ASN A 45 -6.152 -9.179 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.999 -9.257 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.586 -11.081 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.936 -10.016 -6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.795 -10.466 -10.006 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.695 -10.106 -8.529 1.00 0.00 H new ATOM 668 N LYS A 46 -6.380 -7.077 -6.943 1.00 0.00 N ATOM 669 CA LYS A 46 -6.761 -5.934 -7.754 1.00 0.00 C ATOM 670 C LYS A 46 -6.166 -4.662 -7.145 1.00 0.00 C ATOM 671 O LYS A 46 -6.810 -3.614 -7.136 1.00 0.00 O ATOM 672 CB LYS A 46 -8.280 -5.881 -7.926 1.00 0.00 C ATOM 673 CG LYS A 46 -8.801 -7.157 -8.590 1.00 0.00 C ATOM 674 CD LYS A 46 -9.233 -8.184 -7.542 1.00 0.00 C ATOM 675 CE LYS A 46 -10.268 -9.153 -8.117 1.00 0.00 C ATOM 676 NZ LYS A 46 -11.585 -8.945 -7.476 1.00 0.00 N ATOM 0 H LYS A 46 -6.977 -7.243 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.353 -6.028 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.755 -5.753 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.551 -5.015 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.644 -6.916 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.024 -7.584 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.363 -8.741 -7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.652 -7.671 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.354 -9.006 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.939 -10.180 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.341 -9.154 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.676 -9.578 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.666 -7.957 -7.162 1.00 0.00 H new ATOM 690 N ALA A 47 -4.945 -4.796 -6.650 1.00 0.00 N ATOM 691 CA ALA A 47 -4.256 -3.671 -6.041 1.00 0.00 C ATOM 692 C ALA A 47 -2.871 -3.523 -6.673 1.00 0.00 C ATOM 693 O ALA A 47 -2.341 -4.474 -7.246 1.00 0.00 O ATOM 694 CB ALA A 47 -4.187 -3.874 -4.526 1.00 0.00 C ATOM 0 H ALA A 47 -4.414 -5.667 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.801 -2.744 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.670 -3.030 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.197 -3.943 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.645 -4.794 -4.306 1.00 0.00 H new ATOM 700 N SER A 48 -2.323 -2.324 -6.547 1.00 0.00 N ATOM 701 CA SER A 48 -1.009 -2.039 -7.099 1.00 0.00 C ATOM 702 C SER A 48 0.044 -2.075 -5.989 1.00 0.00 C ATOM 703 O SER A 48 1.209 -2.377 -6.243 1.00 0.00 O ATOM 704 CB SER A 48 -0.990 -0.682 -7.804 1.00 0.00 C ATOM 705 OG SER A 48 -2.044 -0.559 -8.755 1.00 0.00 O ATOM 0 H SER A 48 -2.765 -1.538 -6.070 1.00 0.00 H new ATOM 0 HA SER A 48 -0.775 -2.805 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.076 0.113 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.032 -0.548 -8.306 1.00 0.00 H new ATOM 0 HG SER A 48 -1.907 0.249 -9.293 1.00 0.00 H new ATOM 711 N LEU A 49 -0.404 -1.763 -4.782 1.00 0.00 N ATOM 712 CA LEU A 49 0.484 -1.756 -3.632 1.00 0.00 C ATOM 713 C LEU A 49 -0.308 -2.129 -2.378 1.00 0.00 C ATOM 714 O LEU A 49 -1.527 -1.965 -2.338 1.00 0.00 O ATOM 715 CB LEU A 49 1.211 -0.414 -3.525 1.00 0.00 C ATOM 716 CG LEU A 49 1.819 -0.088 -2.159 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.146 -0.823 -1.961 1.00 0.00 C ATOM 718 CD2 LEU A 49 1.968 1.423 -1.972 1.00 0.00 C ATOM 0 H LEU A 49 -1.371 -1.513 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 49 1.265 -2.507 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.007 -0.394 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.510 0.378 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 49 1.136 -0.442 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.557 -0.574 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.979 -1.898 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.849 -0.521 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.402 1.627 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.619 1.823 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.989 1.896 -2.040 1.00 0.00 H new ATOM 730 N CYS A 50 0.416 -2.622 -1.384 1.00 0.00 N ATOM 731 CA CYS A 50 -0.205 -3.019 -0.131 1.00 0.00 C ATOM 732 C CYS A 50 0.441 -2.217 1.000 1.00 0.00 C ATOM 733 O CYS A 50 1.641 -1.948 0.969 1.00 0.00 O ATOM 734 CB CYS A 50 -0.093 -4.527 0.102 1.00 0.00 C ATOM 735 SG CYS A 50 -1.104 -5.013 1.548 1.00 0.00 S ATOM 0 H CYS A 50 1.427 -2.756 -1.420 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.272 -2.801 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.428 -5.066 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.949 -4.801 0.267 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.568 -6.048 2.124 1.00 0.00 H new ATOM 741 N ILE A 51 -0.384 -1.856 1.972 1.00 0.00 N ATOM 742 CA ILE A 51 0.092 -1.090 3.112 1.00 0.00 C ATOM 743 C ILE A 51 -0.334 -1.789 4.404 1.00 0.00 C ATOM 744 O ILE A 51 -1.447 -1.585 4.887 1.00 0.00 O ATOM 745 CB ILE A 51 -0.378 0.363 3.014 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.288 1.077 1.836 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.153 1.102 4.335 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.132 2.547 1.778 1.00 0.00 C ATOM 0 H ILE A 51 -1.379 -2.080 1.994 1.00 0.00 H new ATOM 0 HA ILE A 51 1.181 -1.049 3.116 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.451 0.363 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.372 1.008 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.017 0.580 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.495 2.132 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.712 0.607 5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.909 1.094 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.355 3.032 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.214 2.612 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.163 3.046 2.701 1.00 0.00 H new ATOM 760 N SER A 52 0.574 -2.598 4.929 1.00 0.00 N ATOM 761 CA SER A 52 0.307 -3.328 6.156 1.00 0.00 C ATOM 762 C SER A 52 1.457 -3.129 7.145 1.00 0.00 C ATOM 763 O SER A 52 2.352 -2.319 6.907 1.00 0.00 O ATOM 764 CB SER A 52 0.099 -4.818 5.877 1.00 0.00 C ATOM 765 OG SER A 52 -0.693 -5.444 6.883 1.00 0.00 O ATOM 0 H SER A 52 1.496 -2.764 4.526 1.00 0.00 H new ATOM 0 HA SER A 52 -0.611 -2.936 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.383 -4.941 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.068 -5.314 5.817 1.00 0.00 H new ATOM 0 HG SER A 52 -1.235 -4.768 7.340 1.00 0.00 H new ATOM 771 N THR A 53 1.396 -3.881 8.234 1.00 0.00 N ATOM 772 CA THR A 53 2.422 -3.798 9.260 1.00 0.00 C ATOM 773 C THR A 53 3.284 -5.062 9.257 1.00 0.00 C ATOM 774 O THR A 53 2.884 -6.089 8.712 1.00 0.00 O ATOM 775 CB THR A 53 1.731 -3.537 10.599 1.00 0.00 C ATOM 776 OG1 THR A 53 0.740 -4.558 10.683 1.00 0.00 O ATOM 777 CG2 THR A 53 0.926 -2.236 10.600 1.00 0.00 C ATOM 0 H THR A 53 0.652 -4.551 8.428 1.00 0.00 H new ATOM 0 HA THR A 53 3.109 -2.974 9.066 1.00 0.00 H new ATOM 0 HB THR A 53 2.478 -3.501 11.392 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.244 -4.465 11.523 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.456 -2.100 11.574 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.591 -1.397 10.397 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.156 -2.284 9.830 1.00 0.00 H new ATOM 785 N LYS A 54 4.452 -4.944 9.871 1.00 0.00 N ATOM 786 CA LYS A 54 5.374 -6.065 9.946 1.00 0.00 C ATOM 787 C LYS A 54 4.640 -7.288 10.500 1.00 0.00 C ATOM 788 O LYS A 54 4.641 -8.350 9.880 1.00 0.00 O ATOM 789 CB LYS A 54 6.620 -5.681 10.747 1.00 0.00 C ATOM 790 CG LYS A 54 7.561 -6.877 10.905 1.00 0.00 C ATOM 791 CD LYS A 54 9.023 -6.426 10.925 1.00 0.00 C ATOM 792 CE LYS A 54 9.749 -6.864 9.652 1.00 0.00 C ATOM 793 NZ LYS A 54 10.788 -7.869 9.968 1.00 0.00 N ATOM 0 H LYS A 54 4.781 -4.090 10.321 1.00 0.00 H new ATOM 0 HA LYS A 54 5.732 -6.331 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.142 -4.867 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.326 -5.313 11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.328 -7.408 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.404 -7.578 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.071 -5.341 11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.525 -6.846 11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.034 -7.282 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.206 -5.999 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.271 -8.156 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.480 -7.458 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.344 -8.701 10.407 1.00 0.00 H new ATOM 807 N LYS A 55 4.031 -7.097 11.661 1.00 0.00 N ATOM 808 CA LYS A 55 3.295 -8.171 12.305 1.00 0.00 C ATOM 809 C LYS A 55 2.366 -8.831 11.284 1.00 0.00 C ATOM 810 O LYS A 55 2.347 -10.054 11.156 1.00 0.00 O ATOM 811 CB LYS A 55 2.572 -7.653 13.551 1.00 0.00 C ATOM 812 CG LYS A 55 3.473 -7.740 14.784 1.00 0.00 C ATOM 813 CD LYS A 55 3.846 -6.345 15.290 1.00 0.00 C ATOM 814 CE LYS A 55 2.825 -5.842 16.312 1.00 0.00 C ATOM 815 NZ LYS A 55 3.428 -5.785 17.662 1.00 0.00 N ATOM 0 H LYS A 55 4.032 -6.214 12.172 1.00 0.00 H new ATOM 0 HA LYS A 55 3.979 -8.943 12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.264 -6.619 13.394 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.665 -8.234 13.717 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.963 -8.293 15.573 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.378 -8.296 14.539 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.837 -6.371 15.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.898 -5.652 14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.470 -4.852 16.024 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.957 -6.501 16.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.722 -5.442 18.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.745 -6.735 17.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.242 -5.138 17.652 1.00 0.00 H new ATOM 829 N GLU A 56 1.618 -7.991 10.584 1.00 0.00 N ATOM 830 CA GLU A 56 0.689 -8.478 9.578 1.00 0.00 C ATOM 831 C GLU A 56 1.410 -9.395 8.588 1.00 0.00 C ATOM 832 O GLU A 56 1.162 -10.599 8.559 1.00 0.00 O ATOM 833 CB GLU A 56 0.008 -7.315 8.853 1.00 0.00 C ATOM 834 CG GLU A 56 -1.511 -7.377 9.023 1.00 0.00 C ATOM 835 CD GLU A 56 -1.903 -7.260 10.497 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.999 -6.107 10.969 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.098 -8.327 11.119 1.00 0.00 O ATOM 0 H GLU A 56 1.636 -6.977 10.693 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.088 -9.057 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.383 -6.369 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.260 -7.345 7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.977 -6.573 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.888 -8.315 8.616 1.00 0.00 H new ATOM 844 N VAL A 57 2.288 -8.790 7.802 1.00 0.00 N ATOM 845 CA VAL A 57 3.047 -9.537 6.814 1.00 0.00 C ATOM 846 C VAL A 57 3.607 -10.806 7.460 1.00 0.00 C ATOM 847 O VAL A 57 3.863 -11.795 6.774 1.00 0.00 O ATOM 848 CB VAL A 57 4.133 -8.647 6.206 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.115 -9.473 5.372 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.517 -7.522 5.372 1.00 0.00 C ATOM 0 H VAL A 57 2.491 -7.791 7.829 1.00 0.00 H new ATOM 0 HA VAL A 57 2.402 -9.848 5.992 1.00 0.00 H new ATOM 0 HB VAL A 57 4.689 -8.191 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.877 -8.817 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.591 -10.221 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.578 -9.970 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.311 -6.904 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.924 -7.951 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.877 -6.908 6.006 1.00 0.00 H new ATOM 860 N GLU A 58 3.780 -10.738 8.772 1.00 0.00 N ATOM 861 CA GLU A 58 4.304 -11.869 9.517 1.00 0.00 C ATOM 862 C GLU A 58 3.210 -12.918 9.729 1.00 0.00 C ATOM 863 O GLU A 58 3.464 -14.116 9.616 1.00 0.00 O ATOM 864 CB GLU A 58 4.897 -11.417 10.854 1.00 0.00 C ATOM 865 CG GLU A 58 6.426 -11.430 10.807 1.00 0.00 C ATOM 866 CD GLU A 58 7.018 -11.413 12.218 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.380 -10.787 13.093 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.094 -12.025 12.390 1.00 0.00 O ATOM 0 H GLU A 58 3.566 -9.917 9.338 1.00 0.00 H new ATOM 0 HA GLU A 58 5.107 -12.322 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.545 -10.413 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.548 -12.073 11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.770 -12.317 10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.784 -10.565 10.248 1.00 0.00 H new ATOM 875 N LYS A 59 2.017 -12.429 10.033 1.00 0.00 N ATOM 876 CA LYS A 59 0.884 -13.309 10.262 1.00 0.00 C ATOM 877 C LYS A 59 0.661 -14.179 9.023 1.00 0.00 C ATOM 878 O LYS A 59 0.319 -15.355 9.139 1.00 0.00 O ATOM 879 CB LYS A 59 -0.348 -12.501 10.675 1.00 0.00 C ATOM 880 CG LYS A 59 -1.245 -12.213 9.469 1.00 0.00 C ATOM 881 CD LYS A 59 -2.123 -10.986 9.720 1.00 0.00 C ATOM 882 CE LYS A 59 -3.590 -11.387 9.891 1.00 0.00 C ATOM 883 NZ LYS A 59 -4.422 -10.770 8.834 1.00 0.00 N ATOM 0 H LYS A 59 1.810 -11.434 10.126 1.00 0.00 H new ATOM 0 HA LYS A 59 1.088 -13.983 11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.912 -13.051 11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.035 -11.562 11.132 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.630 -12.050 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.874 -13.079 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.778 -10.464 10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.027 -10.289 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.684 -12.472 9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.947 -11.074 10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.301 -11.314 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.652 -9.791 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.898 -10.771 7.935 1.00 0.00 H new ATOM 897 N MET A 60 0.864 -13.568 7.865 1.00 0.00 N ATOM 898 CA MET A 60 0.690 -14.272 6.606 1.00 0.00 C ATOM 899 C MET A 60 -0.681 -14.948 6.542 1.00 0.00 C ATOM 900 O MET A 60 -0.774 -16.149 6.289 1.00 0.00 O ATOM 901 CB MET A 60 1.788 -15.327 6.455 1.00 0.00 C ATOM 902 CG MET A 60 3.000 -14.755 5.717 1.00 0.00 C ATOM 903 SD MET A 60 2.863 -15.088 3.969 1.00 0.00 S ATOM 904 CE MET A 60 2.329 -13.486 3.389 1.00 0.00 C ATOM 0 H MET A 60 1.148 -12.593 7.772 1.00 0.00 H new ATOM 0 HA MET A 60 0.756 -13.548 5.794 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.092 -15.684 7.439 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.399 -16.187 5.910 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.066 -13.680 5.887 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.916 -15.196 6.109 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.789 -13.277 2.423 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.244 -13.481 3.283 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.627 -12.721 4.106 1.00 0.00 H new ATOM 914 N ASN A 61 -1.711 -14.149 6.774 1.00 0.00 N ATOM 915 CA ASN A 61 -3.073 -14.655 6.746 1.00 0.00 C ATOM 916 C ASN A 61 -3.596 -14.618 5.308 1.00 0.00 C ATOM 917 O ASN A 61 -2.917 -14.125 4.409 1.00 0.00 O ATOM 918 CB ASN A 61 -3.999 -13.795 7.608 1.00 0.00 C ATOM 919 CG ASN A 61 -4.463 -14.562 8.848 1.00 0.00 C ATOM 920 OD1 ASN A 61 -3.723 -15.320 9.454 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.726 -14.325 9.189 1.00 0.00 N ATOM 0 H ASN A 61 -1.630 -13.154 6.982 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.062 -15.673 7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.479 -12.886 7.912 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.865 -13.486 7.022 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.131 -14.790 10.002 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.290 -13.678 8.638 1.00 0.00 H new ATOM 928 N LYS A 62 -4.799 -15.145 5.137 1.00 0.00 N ATOM 929 CA LYS A 62 -5.421 -15.178 3.824 1.00 0.00 C ATOM 930 C LYS A 62 -5.302 -13.799 3.172 1.00 0.00 C ATOM 931 O LYS A 62 -5.024 -13.695 1.979 1.00 0.00 O ATOM 932 CB LYS A 62 -6.861 -15.688 3.926 1.00 0.00 C ATOM 933 CG LYS A 62 -6.909 -17.215 3.844 1.00 0.00 C ATOM 934 CD LYS A 62 -7.311 -17.824 5.188 1.00 0.00 C ATOM 935 CE LYS A 62 -7.730 -19.286 5.025 1.00 0.00 C ATOM 936 NZ LYS A 62 -7.592 -20.011 6.307 1.00 0.00 N ATOM 0 H LYS A 62 -5.360 -15.553 5.885 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.902 -15.883 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.302 -15.357 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.461 -15.258 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.620 -17.519 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.933 -17.597 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.476 -17.757 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.133 -17.252 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.763 -19.338 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.115 -19.764 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.881 -21.002 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.601 -19.977 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.197 -19.565 7.025 1.00 0.00 H new ATOM 950 N LYS A 63 -5.518 -12.775 3.985 1.00 0.00 N ATOM 951 CA LYS A 63 -5.438 -11.407 3.503 1.00 0.00 C ATOM 952 C LYS A 63 -4.045 -11.157 2.919 1.00 0.00 C ATOM 953 O LYS A 63 -3.917 -10.706 1.783 1.00 0.00 O ATOM 954 CB LYS A 63 -5.825 -10.425 4.610 1.00 0.00 C ATOM 955 CG LYS A 63 -7.326 -10.492 4.902 1.00 0.00 C ATOM 956 CD LYS A 63 -8.072 -9.354 4.202 1.00 0.00 C ATOM 957 CE LYS A 63 -9.316 -8.946 4.992 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.606 -7.508 4.796 1.00 0.00 N ATOM 0 H LYS A 63 -5.748 -12.866 4.974 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.156 -11.244 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.264 -10.653 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.553 -9.412 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.723 -11.451 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.494 -10.434 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.410 -8.495 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.361 -9.667 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.170 -9.542 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.165 -9.151 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.454 -7.248 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.797 -6.943 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.771 -7.322 3.786 1.00 0.00 H new ATOM 972 N MET A 64 -3.038 -11.462 3.724 1.00 0.00 N ATOM 973 CA MET A 64 -1.660 -11.276 3.302 1.00 0.00 C ATOM 974 C MET A 64 -1.315 -12.202 2.133 1.00 0.00 C ATOM 975 O MET A 64 -0.408 -11.914 1.355 1.00 0.00 O ATOM 976 CB MET A 64 -0.723 -11.565 4.476 1.00 0.00 C ATOM 977 CG MET A 64 0.669 -10.983 4.222 1.00 0.00 C ATOM 978 SD MET A 64 0.564 -9.212 4.026 1.00 0.00 S ATOM 979 CE MET A 64 -0.065 -8.759 5.634 1.00 0.00 C ATOM 0 H MET A 64 -3.149 -11.837 4.666 1.00 0.00 H new ATOM 0 HA MET A 64 -1.537 -10.244 2.973 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.138 -11.140 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.649 -12.641 4.630 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.331 -11.227 5.053 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.102 -11.431 3.328 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.112 -8.469 5.547 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.021 -9.609 6.311 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.512 -7.922 6.028 1.00 0.00 H new ATOM 989 N GLU A 65 -2.058 -13.296 2.048 1.00 0.00 N ATOM 990 CA GLU A 65 -1.842 -14.266 0.987 1.00 0.00 C ATOM 991 C GLU A 65 -2.148 -13.640 -0.375 1.00 0.00 C ATOM 992 O GLU A 65 -1.343 -13.733 -1.300 1.00 0.00 O ATOM 993 CB GLU A 65 -2.684 -15.523 1.215 1.00 0.00 C ATOM 994 CG GLU A 65 -1.844 -16.641 1.836 1.00 0.00 C ATOM 995 CD GLU A 65 -1.565 -17.747 0.817 1.00 0.00 C ATOM 996 OE1 GLU A 65 -2.556 -18.319 0.314 1.00 0.00 O ATOM 997 OE2 GLU A 65 -0.366 -17.996 0.564 1.00 0.00 O ATOM 0 H GLU A 65 -2.810 -13.532 2.696 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.793 -14.563 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.524 -15.289 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.103 -15.861 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.902 -16.233 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.366 -17.058 2.697 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.314 -13.016 -0.455 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.737 -12.375 -1.689 1.00 0.00 C ATOM 1006 C GLU A 66 -2.645 -11.430 -2.197 1.00 0.00 C ATOM 1007 O GLU A 66 -2.459 -11.284 -3.404 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.059 -11.630 -1.495 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.149 -12.573 -0.982 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.003 -13.104 -2.135 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.398 -13.499 -3.155 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.242 -13.103 -1.971 1.00 0.00 O ATOM 0 H GLU A 66 -3.979 -12.941 0.315 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.900 -13.148 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.919 -10.812 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.372 -11.186 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.692 -13.407 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.783 -12.047 -0.268 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.953 -10.814 -1.250 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.885 -9.888 -1.587 1.00 0.00 C ATOM 1021 C VAL A 67 0.346 -10.677 -2.035 1.00 0.00 C ATOM 1022 O VAL A 67 1.028 -10.286 -2.982 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.602 -8.962 -0.402 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.420 -7.887 -0.777 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.894 -8.331 0.121 1.00 0.00 C ATOM 0 H VAL A 67 -2.111 -10.938 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.182 -9.249 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.175 -9.565 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.603 -7.243 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.353 -8.362 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.033 -7.289 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.665 -7.678 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.362 -7.749 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.577 -9.116 0.446 1.00 0.00 H new ATOM 1035 N LYS A 68 0.594 -11.774 -1.335 1.00 0.00 N ATOM 1036 CA LYS A 68 1.731 -12.622 -1.649 1.00 0.00 C ATOM 1037 C LYS A 68 1.529 -13.248 -3.031 1.00 0.00 C ATOM 1038 O LYS A 68 2.464 -13.315 -3.828 1.00 0.00 O ATOM 1039 CB LYS A 68 1.958 -13.648 -0.537 1.00 0.00 C ATOM 1040 CG LYS A 68 3.176 -14.524 -0.840 1.00 0.00 C ATOM 1041 CD LYS A 68 3.799 -15.061 0.451 1.00 0.00 C ATOM 1042 CE LYS A 68 5.327 -14.998 0.389 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.922 -16.150 1.102 1.00 0.00 N ATOM 0 H LYS A 68 0.026 -12.095 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 68 2.645 -12.030 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.103 -13.134 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.073 -14.275 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.880 -15.356 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.916 -13.945 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.442 -14.480 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.480 -16.091 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.655 -14.997 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.677 -14.067 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.959 -16.092 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.623 -16.134 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.602 -17.035 0.659 1.00 0.00 H new ATOM 1057 N GLU A 69 0.304 -13.689 -3.272 1.00 0.00 N ATOM 1058 CA GLU A 69 -0.033 -14.306 -4.544 1.00 0.00 C ATOM 1059 C GLU A 69 0.160 -13.307 -5.686 1.00 0.00 C ATOM 1060 O GLU A 69 0.692 -13.657 -6.739 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.462 -14.851 -4.527 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.711 -15.700 -3.279 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.323 -17.052 -3.648 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -1.620 -17.825 -4.334 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -3.481 -17.283 -3.236 1.00 0.00 O ATOM 0 H GLU A 69 -0.468 -13.632 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 69 0.640 -15.148 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.171 -14.023 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.637 -15.451 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.772 -15.855 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.378 -15.168 -2.600 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.283 -12.083 -5.440 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.166 -11.031 -6.436 1.00 0.00 C ATOM 1074 C ALA A 70 1.216 -10.383 -6.327 1.00 0.00 C ATOM 1075 O ALA A 70 1.482 -9.368 -6.969 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.300 -10.021 -6.247 1.00 0.00 C ATOM 0 H ALA A 70 -0.723 -11.796 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.259 -11.442 -7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.213 -9.232 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.259 -10.525 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.237 -9.585 -5.250 1.00 0.00 H new ATOM 1082 N ASN A 71 2.059 -10.997 -5.510 1.00 0.00 N ATOM 1083 CA ASN A 71 3.407 -10.493 -5.309 1.00 0.00 C ATOM 1084 C ASN A 71 3.364 -8.969 -5.186 1.00 0.00 C ATOM 1085 O ASN A 71 4.052 -8.263 -5.922 1.00 0.00 O ATOM 1086 CB ASN A 71 4.309 -10.846 -6.493 1.00 0.00 C ATOM 1087 CG ASN A 71 5.751 -11.075 -6.034 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.020 -11.772 -5.070 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.660 -10.451 -6.777 1.00 0.00 N ATOM 0 H ASN A 71 1.835 -11.839 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 71 3.806 -10.949 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.934 -11.743 -6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.281 -10.042 -7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.651 -10.541 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.366 -9.882 -7.571 1.00 0.00 H new ATOM 1096 N ILE A 72 2.548 -8.505 -4.250 1.00 0.00 N ATOM 1097 CA ILE A 72 2.406 -7.077 -4.021 1.00 0.00 C ATOM 1098 C ILE A 72 3.255 -6.672 -2.814 1.00 0.00 C ATOM 1099 O ILE A 72 2.994 -7.105 -1.693 1.00 0.00 O ATOM 1100 CB ILE A 72 0.929 -6.700 -3.889 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.168 -7.004 -5.181 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.773 -5.239 -3.462 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.327 -6.723 -5.015 1.00 0.00 C ATOM 0 H ILE A 72 1.979 -9.093 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 72 2.779 -6.514 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 72 0.488 -7.314 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.568 -6.398 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.317 -8.048 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.286 -4.996 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.260 -5.088 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.234 -4.591 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.845 -6.947 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.728 -7.348 -4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.474 -5.673 -4.762 1.00 0.00 H new ATOM 1115 N ARG A 73 4.254 -5.845 -3.085 1.00 0.00 N ATOM 1116 CA ARG A 73 5.143 -5.376 -2.036 1.00 0.00 C ATOM 1117 C ARG A 73 4.336 -4.740 -0.902 1.00 0.00 C ATOM 1118 O ARG A 73 3.597 -3.782 -1.123 1.00 0.00 O ATOM 1119 CB ARG A 73 6.143 -4.353 -2.577 1.00 0.00 C ATOM 1120 CG ARG A 73 5.498 -2.972 -2.709 1.00 0.00 C ATOM 1121 CD ARG A 73 6.376 -2.033 -3.538 1.00 0.00 C ATOM 1122 NE ARG A 73 5.575 -1.408 -4.614 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.185 -2.044 -5.727 1.00 0.00 C ATOM 1124 NH1 ARG A 73 5.522 -3.327 -5.918 1.00 0.00 N ATOM 1125 NH2 ARG A 73 4.460 -1.397 -6.649 1.00 0.00 N ATOM 0 H ARG A 73 4.467 -5.488 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 73 5.692 -6.238 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.004 -4.294 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.513 -4.680 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.518 -3.068 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.337 -2.546 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.804 -1.262 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.209 -2.588 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 73 5.303 -0.432 -4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.075 -3.819 -5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.225 -3.812 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.205 -0.420 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.163 -1.881 -7.496 1.00 0.00 H new ATOM 1139 N VAL A 74 4.506 -5.298 0.288 1.00 0.00 N ATOM 1140 CA VAL A 74 3.802 -4.797 1.456 1.00 0.00 C ATOM 1141 C VAL A 74 4.688 -3.784 2.184 1.00 0.00 C ATOM 1142 O VAL A 74 5.740 -4.141 2.713 1.00 0.00 O ATOM 1143 CB VAL A 74 3.372 -5.964 2.348 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.312 -5.520 3.358 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.871 -7.140 1.508 1.00 0.00 C ATOM 0 H VAL A 74 5.121 -6.092 0.468 1.00 0.00 H new ATOM 0 HA VAL A 74 2.890 -4.278 1.159 1.00 0.00 H new ATOM 0 HB VAL A 74 4.246 -6.300 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.024 -6.368 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.719 -4.730 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.437 -5.146 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.572 -7.956 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.016 -6.823 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.668 -7.481 0.847 1.00 0.00 H new ATOM 1155 N VAL A 75 4.231 -2.540 2.187 1.00 0.00 N ATOM 1156 CA VAL A 75 4.969 -1.473 2.841 1.00 0.00 C ATOM 1157 C VAL A 75 4.165 -0.963 4.040 1.00 0.00 C ATOM 1158 O VAL A 75 3.013 -1.351 4.229 1.00 0.00 O ATOM 1159 CB VAL A 75 5.301 -0.372 1.832 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.058 -0.940 0.630 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.035 0.362 1.386 1.00 0.00 C ATOM 0 H VAL A 75 3.359 -2.247 1.747 1.00 0.00 H new ATOM 0 HA VAL A 75 5.920 -1.844 3.222 1.00 0.00 H new ATOM 0 HB VAL A 75 5.951 0.350 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.282 -0.137 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.989 -1.396 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.444 -1.693 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.299 1.140 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.350 -0.345 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.553 0.816 2.252 1.00 0.00 H new ATOM 1171 N SER A 76 4.805 -0.102 4.817 1.00 0.00 N ATOM 1172 CA SER A 76 4.164 0.465 5.992 1.00 0.00 C ATOM 1173 C SER A 76 3.411 1.741 5.612 1.00 0.00 C ATOM 1174 O SER A 76 3.306 2.077 4.433 1.00 0.00 O ATOM 1175 CB SER A 76 5.189 0.760 7.089 1.00 0.00 C ATOM 1176 OG SER A 76 5.475 2.152 7.192 1.00 0.00 O ATOM 0 H SER A 76 5.760 0.217 4.656 1.00 0.00 H new ATOM 0 HA SER A 76 3.455 -0.265 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.812 0.396 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.110 0.215 6.881 1.00 0.00 H new ATOM 0 HG SER A 76 6.132 2.299 7.904 1.00 0.00 H new ATOM 1182 N GLU A 77 2.904 2.417 6.633 1.00 0.00 N ATOM 1183 CA GLU A 77 2.163 3.648 6.421 1.00 0.00 C ATOM 1184 C GLU A 77 3.127 4.821 6.230 1.00 0.00 C ATOM 1185 O GLU A 77 2.766 5.835 5.633 1.00 0.00 O ATOM 1186 CB GLU A 77 1.198 3.914 7.578 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.248 3.973 7.084 1.00 0.00 C ATOM 1188 CD GLU A 77 -1.016 5.106 7.768 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.436 6.210 7.859 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -2.165 4.843 8.184 1.00 0.00 O ATOM 0 H GLU A 77 2.992 2.135 7.609 1.00 0.00 H new ATOM 0 HA GLU A 77 1.569 3.540 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.298 3.129 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.458 4.854 8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.261 4.120 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.743 3.022 7.282 1.00 0.00 H new ATOM 1197 N ASP A 78 4.333 4.645 6.749 1.00 0.00 N ATOM 1198 CA ASP A 78 5.351 5.677 6.643 1.00 0.00 C ATOM 1199 C ASP A 78 5.502 6.090 5.178 1.00 0.00 C ATOM 1200 O ASP A 78 5.646 7.273 4.874 1.00 0.00 O ATOM 1201 CB ASP A 78 6.707 5.164 7.132 1.00 0.00 C ATOM 1202 CG ASP A 78 6.817 4.969 8.646 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.797 5.215 9.325 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.918 4.578 9.089 1.00 0.00 O ATOM 0 H ASP A 78 4.628 3.804 7.244 1.00 0.00 H new ATOM 0 HA ASP A 78 5.041 6.521 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.917 4.213 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.480 5.864 6.814 1.00 0.00 H new ATOM 1209 N PHE A 79 5.465 5.091 4.308 1.00 0.00 N ATOM 1210 CA PHE A 79 5.596 5.335 2.882 1.00 0.00 C ATOM 1211 C PHE A 79 4.764 6.547 2.454 1.00 0.00 C ATOM 1212 O PHE A 79 5.222 7.370 1.664 1.00 0.00 O ATOM 1213 CB PHE A 79 5.069 4.091 2.164 1.00 0.00 C ATOM 1214 CG PHE A 79 4.630 4.344 0.721 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.529 4.234 -0.294 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.339 4.680 0.452 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.121 4.469 -1.633 1.00 0.00 C ATOM 1218 CE2 PHE A 79 2.931 4.915 -0.888 1.00 0.00 C ATOM 1219 CZ PHE A 79 3.831 4.805 -1.902 1.00 0.00 C ATOM 0 H PHE A 79 5.346 4.111 4.564 1.00 0.00 H new ATOM 0 HA PHE A 79 6.638 5.537 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.845 3.326 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.224 3.691 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.554 3.968 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.625 4.768 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.835 4.381 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.906 5.181 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.521 4.985 -2.921 1.00 0.00 H new ATOM 1229 N LEU A 80 3.557 6.616 2.996 1.00 0.00 N ATOM 1230 CA LEU A 80 2.657 7.713 2.681 1.00 0.00 C ATOM 1231 C LEU A 80 3.263 9.024 3.185 1.00 0.00 C ATOM 1232 O LEU A 80 3.179 10.050 2.511 1.00 0.00 O ATOM 1233 CB LEU A 80 1.257 7.431 3.229 1.00 0.00 C ATOM 1234 CG LEU A 80 0.464 6.336 2.512 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.738 5.893 3.349 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.051 6.786 1.110 1.00 0.00 C ATOM 0 H LEU A 80 3.181 5.930 3.651 1.00 0.00 H new ATOM 0 HA LEU A 80 2.538 7.811 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.348 7.157 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.680 8.355 3.189 1.00 0.00 H new ATOM 0 HG LEU A 80 1.112 5.468 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.285 5.114 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.391 5.504 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.396 6.745 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.511 5.989 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.572 7.677 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.941 7.013 0.524 1.00 0.00 H new ATOM 1248 N GLN A 81 3.859 8.949 4.366 1.00 0.00 N ATOM 1249 CA GLN A 81 4.478 10.117 4.968 1.00 0.00 C ATOM 1250 C GLN A 81 5.711 10.538 4.165 1.00 0.00 C ATOM 1251 O GLN A 81 6.004 11.726 4.049 1.00 0.00 O ATOM 1252 CB GLN A 81 4.840 9.854 6.431 1.00 0.00 C ATOM 1253 CG GLN A 81 5.893 10.848 6.923 1.00 0.00 C ATOM 1254 CD GLN A 81 5.331 12.271 6.954 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.851 12.637 8.139 1.00 0.00 O flip ATOM 1256 NE2 GLN A 81 5.334 12.989 5.968 1.00 0.00 N flip ATOM 0 H GLN A 81 3.926 8.097 4.922 1.00 0.00 H new ATOM 0 HA GLN A 81 3.759 10.936 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.946 9.930 7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.217 8.837 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.229 10.564 7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.765 10.812 6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.718 12.645 5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.952 13.933 6.024 1.00 0.00 H new ATOM 1265 N ASP A 82 6.399 9.539 3.632 1.00 0.00 N ATOM 1266 CA ASP A 82 7.593 9.790 2.844 1.00 0.00 C ATOM 1267 C ASP A 82 7.187 10.218 1.432 1.00 0.00 C ATOM 1268 O ASP A 82 7.521 11.317 0.993 1.00 0.00 O ATOM 1269 CB ASP A 82 8.452 8.529 2.727 1.00 0.00 C ATOM 1270 CG ASP A 82 9.543 8.388 3.790 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.175 8.388 4.984 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.720 8.285 3.384 1.00 0.00 O ATOM 0 H ASP A 82 6.152 8.554 3.731 1.00 0.00 H new ATOM 0 HA ASP A 82 8.167 10.572 3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.800 7.657 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.921 8.517 1.743 1.00 0.00 H new ATOM 1277 N VAL A 83 6.472 9.327 0.761 1.00 0.00 N ATOM 1278 CA VAL A 83 6.016 9.599 -0.592 1.00 0.00 C ATOM 1279 C VAL A 83 5.427 11.010 -0.653 1.00 0.00 C ATOM 1280 O VAL A 83 5.547 11.692 -1.669 1.00 0.00 O ATOM 1281 CB VAL A 83 5.029 8.519 -1.038 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.651 8.744 -0.413 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.936 8.458 -2.564 1.00 0.00 C ATOM 0 H VAL A 83 6.197 8.416 1.129 1.00 0.00 H new ATOM 0 HA VAL A 83 6.852 9.565 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 83 5.403 7.557 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.968 7.962 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.735 8.713 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.267 9.717 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.228 7.682 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.597 9.421 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.917 8.228 -2.979 1.00 0.00 H new ATOM 1293 N SER A 84 4.804 11.405 0.447 1.00 0.00 N ATOM 1294 CA SER A 84 4.196 12.722 0.531 1.00 0.00 C ATOM 1295 C SER A 84 5.263 13.771 0.853 1.00 0.00 C ATOM 1296 O SER A 84 5.219 14.885 0.334 1.00 0.00 O ATOM 1297 CB SER A 84 3.088 12.751 1.585 1.00 0.00 C ATOM 1298 OG SER A 84 2.368 13.980 1.569 1.00 0.00 O ATOM 0 H SER A 84 4.707 10.836 1.288 1.00 0.00 H new ATOM 0 HA SER A 84 3.747 12.954 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.399 11.925 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.523 12.599 2.573 1.00 0.00 H new ATOM 0 HG SER A 84 1.669 13.958 2.255 1.00 0.00 H new ATOM 1304 N ALA A 85 6.195 13.377 1.707 1.00 0.00 N ATOM 1305 CA ALA A 85 7.271 14.269 2.104 1.00 0.00 C ATOM 1306 C ALA A 85 8.598 13.508 2.069 1.00 0.00 C ATOM 1307 O ALA A 85 9.161 13.186 3.114 1.00 0.00 O ATOM 1308 CB ALA A 85 6.969 14.850 3.487 1.00 0.00 C ATOM 0 H ALA A 85 6.228 12.452 2.135 1.00 0.00 H new ATOM 0 HA ALA A 85 7.352 15.105 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.776 15.519 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.032 15.405 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.884 14.040 4.211 1.00 0.00 H new ATOM 1314 N SER A 86 9.059 13.243 0.856 1.00 0.00 N ATOM 1315 CA SER A 86 10.310 12.526 0.671 1.00 0.00 C ATOM 1316 C SER A 86 11.036 13.053 -0.568 1.00 0.00 C ATOM 1317 O SER A 86 10.426 13.230 -1.622 1.00 0.00 O ATOM 1318 CB SER A 86 10.068 11.021 0.544 1.00 0.00 C ATOM 1319 OG SER A 86 11.273 10.306 0.286 1.00 0.00 O ATOM 0 H SER A 86 8.589 13.512 -0.009 1.00 0.00 H new ATOM 0 HA SER A 86 10.934 12.694 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.615 10.648 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.357 10.835 -0.261 1.00 0.00 H new ATOM 0 HG SER A 86 11.687 10.045 1.135 1.00 0.00 H new ATOM 1325 N THR A 87 12.329 13.288 -0.401 1.00 0.00 N ATOM 1326 CA THR A 87 13.146 13.791 -1.493 1.00 0.00 C ATOM 1327 C THR A 87 13.667 12.633 -2.347 1.00 0.00 C ATOM 1328 O THR A 87 14.569 12.815 -3.162 1.00 0.00 O ATOM 1329 CB THR A 87 14.259 14.652 -0.893 1.00 0.00 C ATOM 1330 OG1 THR A 87 15.202 13.706 -0.399 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.804 15.411 0.355 1.00 0.00 C ATOM 0 H THR A 87 12.831 13.139 0.474 1.00 0.00 H new ATOM 0 HA THR A 87 12.561 14.415 -2.169 1.00 0.00 H new ATOM 0 HB THR A 87 14.611 15.362 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.959 14.179 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.632 16.006 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.973 16.068 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.483 14.700 1.116 1.00 0.00 H new ATOM 1339 N LYS A 88 13.075 11.467 -2.130 1.00 0.00 N ATOM 1340 CA LYS A 88 13.468 10.280 -2.869 1.00 0.00 C ATOM 1341 C LYS A 88 12.388 9.944 -3.899 1.00 0.00 C ATOM 1342 O LYS A 88 11.519 10.768 -4.183 1.00 0.00 O ATOM 1343 CB LYS A 88 13.781 9.130 -1.909 1.00 0.00 C ATOM 1344 CG LYS A 88 14.896 9.517 -0.935 1.00 0.00 C ATOM 1345 CD LYS A 88 15.935 8.400 -0.819 1.00 0.00 C ATOM 1346 CE LYS A 88 16.038 7.894 0.621 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.268 8.407 1.265 1.00 0.00 N ATOM 0 H LYS A 88 12.326 11.320 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 88 14.390 10.464 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.883 8.862 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.079 8.248 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.379 10.433 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.470 9.726 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.664 7.576 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.907 8.767 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.164 8.213 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.043 6.804 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.322 8.054 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.100 8.082 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.248 9.447 1.274 1.00 0.00 H new ATOM 1361 N SER A 89 12.477 8.734 -4.430 1.00 0.00 N ATOM 1362 CA SER A 89 11.517 8.279 -5.422 1.00 0.00 C ATOM 1363 C SER A 89 10.722 7.092 -4.875 1.00 0.00 C ATOM 1364 O SER A 89 11.213 6.350 -4.026 1.00 0.00 O ATOM 1365 CB SER A 89 12.215 7.895 -6.728 1.00 0.00 C ATOM 1366 OG SER A 89 13.059 8.938 -7.209 1.00 0.00 O ATOM 0 H SER A 89 13.199 8.054 -4.192 1.00 0.00 H new ATOM 0 HA SER A 89 10.831 9.099 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.807 6.993 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.466 7.657 -7.483 1.00 0.00 H new ATOM 0 HG SER A 89 13.488 8.654 -8.043 1.00 0.00 H new ATOM 1372 N LEU A 90 9.508 6.949 -5.385 1.00 0.00 N ATOM 1373 CA LEU A 90 8.640 5.864 -4.959 1.00 0.00 C ATOM 1374 C LEU A 90 9.477 4.601 -4.744 1.00 0.00 C ATOM 1375 O LEU A 90 9.468 4.024 -3.658 1.00 0.00 O ATOM 1376 CB LEU A 90 7.489 5.678 -5.949 1.00 0.00 C ATOM 1377 CG LEU A 90 6.217 6.476 -5.657 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.533 5.973 -4.385 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.513 7.976 -5.594 1.00 0.00 C ATOM 0 H LEU A 90 9.104 7.566 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 90 8.172 6.103 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.844 5.949 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.231 4.620 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 90 5.520 6.319 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.632 6.558 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.266 4.923 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.213 6.079 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.592 8.520 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.237 8.171 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.921 8.307 -6.549 1.00 0.00 H new ATOM 1391 N GLN A 91 10.181 4.210 -5.797 1.00 0.00 N ATOM 1392 CA GLN A 91 11.021 3.027 -5.737 1.00 0.00 C ATOM 1393 C GLN A 91 11.720 2.940 -4.379 1.00 0.00 C ATOM 1394 O GLN A 91 11.725 1.886 -3.746 1.00 0.00 O ATOM 1395 CB GLN A 91 12.039 3.019 -6.879 1.00 0.00 C ATOM 1396 CG GLN A 91 12.372 1.589 -7.308 1.00 0.00 C ATOM 1397 CD GLN A 91 13.882 1.399 -7.462 1.00 0.00 C ATOM 1398 OE1 GLN A 91 14.592 2.252 -7.969 1.00 0.00 O ATOM 1399 NE2 GLN A 91 14.331 0.237 -6.997 1.00 0.00 N ATOM 0 H GLN A 91 10.186 4.692 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 91 10.386 2.149 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.642 3.574 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.949 3.529 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.987 0.885 -6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.876 1.364 -8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.681 -0.432 -6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 91 15.325 0.015 -7.053 1.00 0.00 H new ATOM 1408 N GLU A 92 12.294 4.063 -3.972 1.00 0.00 N ATOM 1409 CA GLU A 92 12.994 4.127 -2.700 1.00 0.00 C ATOM 1410 C GLU A 92 12.045 3.777 -1.553 1.00 0.00 C ATOM 1411 O GLU A 92 12.217 2.755 -0.890 1.00 0.00 O ATOM 1412 CB GLU A 92 13.623 5.506 -2.490 1.00 0.00 C ATOM 1413 CG GLU A 92 14.748 5.755 -3.496 1.00 0.00 C ATOM 1414 CD GLU A 92 15.978 4.907 -3.164 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.693 5.293 -2.214 1.00 0.00 O ATOM 1416 OE2 GLU A 92 16.175 3.894 -3.868 1.00 0.00 O ATOM 0 H GLU A 92 12.289 4.935 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 92 13.800 3.394 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.860 6.277 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.015 5.580 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.400 5.519 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.018 6.811 -3.491 1.00 0.00 H new ATOM 1423 N LEU A 93 11.063 4.644 -1.354 1.00 0.00 N ATOM 1424 CA LEU A 93 10.086 4.439 -0.298 1.00 0.00 C ATOM 1425 C LEU A 93 9.695 2.960 -0.251 1.00 0.00 C ATOM 1426 O LEU A 93 9.885 2.296 0.767 1.00 0.00 O ATOM 1427 CB LEU A 93 8.896 5.384 -0.478 1.00 0.00 C ATOM 1428 CG LEU A 93 9.197 6.876 -0.332 1.00 0.00 C ATOM 1429 CD1 LEU A 93 10.432 7.104 0.542 1.00 0.00 C ATOM 1430 CD2 LEU A 93 9.333 7.545 -1.701 1.00 0.00 C ATOM 0 H LEU A 93 10.923 5.490 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 93 10.516 4.687 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.469 5.215 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.131 5.115 0.250 1.00 0.00 H new ATOM 0 HG LEU A 93 8.353 7.346 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.624 8.173 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.259 6.684 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.295 6.617 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.547 8.606 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.147 7.077 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.402 7.429 -2.256 1.00 0.00 H new ATOM 1442 N PHE A 94 9.157 2.487 -1.365 1.00 0.00 N ATOM 1443 CA PHE A 94 8.738 1.099 -1.464 1.00 0.00 C ATOM 1444 C PHE A 94 9.760 0.170 -0.806 1.00 0.00 C ATOM 1445 O PHE A 94 9.401 -0.888 -0.291 1.00 0.00 O ATOM 1446 CB PHE A 94 8.647 0.764 -2.954 1.00 0.00 C ATOM 1447 CG PHE A 94 7.381 1.290 -3.634 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.176 1.166 -3.016 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.461 1.881 -4.856 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.001 1.654 -3.647 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.286 2.368 -5.487 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.081 2.245 -4.869 1.00 0.00 C ATOM 0 H PHE A 94 9.001 3.040 -2.208 1.00 0.00 H new ATOM 0 HA PHE A 94 7.783 0.962 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.518 1.177 -3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.690 -0.318 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.113 0.696 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.418 1.980 -5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.044 1.556 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.349 2.836 -6.458 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.188 2.617 -5.349 1.00 0.00 H new ATOM 1462 N LEU A 95 11.013 0.599 -0.844 1.00 0.00 N ATOM 1463 CA LEU A 95 12.089 -0.181 -0.258 1.00 0.00 C ATOM 1464 C LEU A 95 12.407 0.362 1.136 1.00 0.00 C ATOM 1465 O LEU A 95 12.733 -0.400 2.044 1.00 0.00 O ATOM 1466 CB LEU A 95 13.298 -0.215 -1.195 1.00 0.00 C ATOM 1467 CG LEU A 95 13.363 -1.397 -2.165 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.401 -1.151 -3.261 1.00 0.00 C ATOM 1469 CD2 LEU A 95 13.619 -2.707 -1.417 1.00 0.00 C ATOM 0 H LEU A 95 11.307 1.477 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 95 11.782 -1.219 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.308 0.707 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.203 -0.219 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 95 12.394 -1.490 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.427 -2.006 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.134 -0.255 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.383 -1.017 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.661 -3.531 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.567 -2.642 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.812 -2.883 -0.705 1.00 0.00 H new ATOM 1481 N ALA A 96 12.301 1.677 1.262 1.00 0.00 N ATOM 1482 CA ALA A 96 12.573 2.332 2.530 1.00 0.00 C ATOM 1483 C ALA A 96 11.373 2.148 3.462 1.00 0.00 C ATOM 1484 O ALA A 96 11.368 2.656 4.582 1.00 0.00 O ATOM 1485 CB ALA A 96 12.899 3.806 2.284 1.00 0.00 C ATOM 0 H ALA A 96 12.030 2.306 0.506 1.00 0.00 H new ATOM 0 HA ALA A 96 13.440 1.883 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.103 4.297 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.776 3.882 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.051 4.290 1.800 1.00 0.00 H new ATOM 1491 N HIS A 97 10.383 1.421 2.964 1.00 0.00 N ATOM 1492 CA HIS A 97 9.181 1.164 3.737 1.00 0.00 C ATOM 1493 C HIS A 97 8.658 -0.239 3.423 1.00 0.00 C ATOM 1494 O HIS A 97 7.478 -0.524 3.617 1.00 0.00 O ATOM 1495 CB HIS A 97 8.135 2.254 3.494 1.00 0.00 C ATOM 1496 CG HIS A 97 8.576 3.634 3.920 1.00 0.00 C ATOM 1497 ND1 HIS A 97 8.770 3.982 5.246 1.00 0.00 N ATOM 1498 CD2 HIS A 97 8.857 4.747 3.184 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.151 5.250 5.293 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.204 5.722 4.015 1.00 0.00 N ATOM 0 H HIS A 97 10.390 1.002 2.034 1.00 0.00 H new ATOM 0 HA HIS A 97 9.416 1.197 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.886 2.275 2.433 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.222 1.994 4.030 1.00 0.00 H new ATOM 0 HD1 HIS A 97 8.642 3.367 6.050 1.00 0.00 H new ATOM 0 HD2 HIS A 97 8.806 4.822 2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.380 5.811 6.187 1.00 0.00 H new ATOM 1508 N ILE A 98 9.564 -1.079 2.942 1.00 0.00 N ATOM 1509 CA ILE A 98 9.209 -2.446 2.599 1.00 0.00 C ATOM 1510 C ILE A 98 9.042 -3.262 3.882 1.00 0.00 C ATOM 1511 O ILE A 98 9.961 -3.342 4.696 1.00 0.00 O ATOM 1512 CB ILE A 98 10.230 -3.035 1.624 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.636 -4.220 0.859 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.525 -3.411 2.346 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.224 -3.808 -0.556 1.00 0.00 C ATOM 0 H ILE A 98 10.542 -0.839 2.782 1.00 0.00 H new ATOM 0 HA ILE A 98 8.252 -2.472 2.078 1.00 0.00 H new ATOM 0 HB ILE A 98 10.482 -2.270 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.366 -5.028 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.770 -4.607 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.233 -3.827 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.956 -2.522 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.310 -4.152 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.805 -4.668 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.476 -3.017 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.097 -3.445 -1.098 1.00 0.00 H new ATOM 1527 N LEU A 99 7.862 -3.848 4.024 1.00 0.00 N ATOM 1528 CA LEU A 99 7.563 -4.655 5.194 1.00 0.00 C ATOM 1529 C LEU A 99 7.673 -6.137 4.828 1.00 0.00 C ATOM 1530 O LEU A 99 7.817 -6.987 5.705 1.00 0.00 O ATOM 1531 CB LEU A 99 6.204 -4.266 5.780 1.00 0.00 C ATOM 1532 CG LEU A 99 6.142 -2.910 6.486 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.879 -2.795 7.342 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.412 -2.658 7.301 1.00 0.00 C ATOM 0 H LEU A 99 7.102 -3.780 3.348 1.00 0.00 H new ATOM 0 HA LEU A 99 8.291 -4.466 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.469 -4.268 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.902 -5.037 6.489 1.00 0.00 H new ATOM 0 HG LEU A 99 6.088 -2.131 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.859 -1.822 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.999 -2.899 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.878 -3.582 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.342 -1.688 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.522 -3.439 8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.277 -2.668 6.638 1.00 0.00 H new ATOM 1546 N SER A 100 7.600 -6.400 3.531 1.00 0.00 N ATOM 1547 CA SER A 100 7.689 -7.764 3.039 1.00 0.00 C ATOM 1548 C SER A 100 9.005 -7.962 2.283 1.00 0.00 C ATOM 1549 O SER A 100 9.779 -7.021 2.121 1.00 0.00 O ATOM 1550 CB SER A 100 6.502 -8.102 2.135 1.00 0.00 C ATOM 1551 OG SER A 100 6.482 -7.300 0.957 1.00 0.00 O ATOM 0 H SER A 100 7.480 -5.692 2.807 1.00 0.00 H new ATOM 0 HA SER A 100 7.663 -8.439 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.547 -9.155 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.573 -7.958 2.687 1.00 0.00 H new ATOM 0 HG SER A 100 5.986 -7.766 0.252 1.00 0.00 H new ATOM 1557 N SER A 101 9.218 -9.193 1.842 1.00 0.00 N ATOM 1558 CA SER A 101 10.426 -9.527 1.108 1.00 0.00 C ATOM 1559 C SER A 101 10.109 -9.681 -0.381 1.00 0.00 C ATOM 1560 O SER A 101 11.010 -9.660 -1.217 1.00 0.00 O ATOM 1561 CB SER A 101 11.064 -10.808 1.650 1.00 0.00 C ATOM 1562 OG SER A 101 12.452 -10.638 1.925 1.00 0.00 O ATOM 0 H SER A 101 8.574 -9.972 1.979 1.00 0.00 H new ATOM 0 HA SER A 101 11.140 -8.714 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.549 -11.112 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.934 -11.612 0.926 1.00 0.00 H new ATOM 0 HG SER A 101 12.822 -11.477 2.271 1.00 0.00 H new ATOM 1568 N TRP A 102 8.824 -9.832 -0.666 1.00 0.00 N ATOM 1569 CA TRP A 102 8.376 -9.989 -2.040 1.00 0.00 C ATOM 1570 C TRP A 102 7.942 -8.616 -2.556 1.00 0.00 C ATOM 1571 O TRP A 102 8.240 -7.595 -1.939 1.00 0.00 O ATOM 1572 CB TRP A 102 7.269 -11.041 -2.138 1.00 0.00 C ATOM 1573 CG TRP A 102 5.905 -10.558 -1.643 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.000 -9.822 -2.303 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.323 -10.808 -0.346 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.883 -9.581 -1.530 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.086 -10.200 -0.302 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.826 -11.526 0.754 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.248 -10.246 0.819 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 4.977 -11.563 1.866 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.728 -10.955 1.926 1.00 0.00 C ATOM 0 H TRP A 102 8.079 -9.849 0.030 1.00 0.00 H new ATOM 0 HA TRP A 102 9.186 -10.358 -2.670 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.175 -11.359 -3.176 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.563 -11.918 -1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.129 -9.463 -3.313 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.060 -9.047 -1.808 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.791 -12.010 0.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.283 -9.761 0.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.316 -12.102 2.739 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.131 -11.030 2.823 1.00 0.00 H new ATOM 1592 N GLY A 103 7.246 -8.635 -3.683 1.00 0.00 N ATOM 1593 CA GLY A 103 6.769 -7.404 -4.289 1.00 0.00 C ATOM 1594 C GLY A 103 7.813 -6.823 -5.245 1.00 0.00 C ATOM 1595 O GLY A 103 8.335 -5.735 -5.012 1.00 0.00 O ATOM 0 H GLY A 103 7.001 -9.484 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.842 -7.596 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.539 -6.677 -3.511 1.00 0.00 H new ATOM 1599 N ALA A 104 8.085 -7.576 -6.301 1.00 0.00 N ATOM 1600 CA ALA A 104 9.057 -7.150 -7.294 1.00 0.00 C ATOM 1601 C ALA A 104 8.327 -6.753 -8.578 1.00 0.00 C ATOM 1602 O ALA A 104 7.666 -7.581 -9.202 1.00 0.00 O ATOM 1603 CB ALA A 104 10.076 -8.267 -7.524 1.00 0.00 C ATOM 0 H ALA A 104 7.649 -8.479 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 104 9.606 -6.276 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.805 -7.947 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.588 -8.491 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.563 -9.160 -7.879 1.00 0.00 H new ATOM 1609 N GLU A 105 8.471 -5.485 -8.936 1.00 0.00 N ATOM 1610 CA GLU A 105 7.834 -4.968 -10.135 1.00 0.00 C ATOM 1611 C GLU A 105 8.468 -3.636 -10.541 1.00 0.00 C ATOM 1612 O GLU A 105 9.143 -2.996 -9.737 1.00 0.00 O ATOM 1613 CB GLU A 105 6.325 -4.819 -9.933 1.00 0.00 C ATOM 1614 CG GLU A 105 5.557 -5.868 -10.739 1.00 0.00 C ATOM 1615 CD GLU A 105 4.863 -5.233 -11.946 1.00 0.00 C ATOM 1616 OE1 GLU A 105 3.875 -4.504 -11.713 1.00 0.00 O ATOM 1617 OE2 GLU A 105 5.336 -5.492 -13.073 1.00 0.00 O ATOM 0 H GLU A 105 9.020 -4.800 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 105 7.990 -5.683 -10.943 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.085 -4.921 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.011 -3.820 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.242 -6.646 -11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.816 -6.351 -10.102 1.00 0.00 H new ATOM 1624 N VAL A 106 8.227 -3.258 -11.788 1.00 0.00 N ATOM 1625 CA VAL A 106 8.765 -2.014 -12.310 1.00 0.00 C ATOM 1626 C VAL A 106 8.466 -0.881 -11.326 1.00 0.00 C ATOM 1627 O VAL A 106 7.777 -1.087 -10.329 1.00 0.00 O ATOM 1628 CB VAL A 106 8.211 -1.751 -13.712 1.00 0.00 C ATOM 1629 CG1 VAL A 106 8.768 -2.759 -14.719 1.00 0.00 C ATOM 1630 CG2 VAL A 106 6.681 -1.768 -13.708 1.00 0.00 C ATOM 0 H VAL A 106 7.666 -3.792 -12.452 1.00 0.00 H new ATOM 0 HA VAL A 106 9.848 -2.079 -12.411 1.00 0.00 H new ATOM 0 HB VAL A 106 8.534 -0.757 -14.020 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.359 -2.550 -15.707 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.855 -2.678 -14.752 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.488 -3.768 -14.416 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.312 -1.579 -14.716 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.329 -2.743 -13.370 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.310 -0.995 -13.035 1.00 0.00 H new ATOM 1640 N LYS A 107 8.998 0.290 -11.642 1.00 0.00 N ATOM 1641 CA LYS A 107 8.796 1.456 -10.799 1.00 0.00 C ATOM 1642 C LYS A 107 8.337 2.632 -11.663 1.00 0.00 C ATOM 1643 O LYS A 107 8.492 2.608 -12.883 1.00 0.00 O ATOM 1644 CB LYS A 107 10.055 1.749 -9.980 1.00 0.00 C ATOM 1645 CG LYS A 107 11.168 2.311 -10.868 1.00 0.00 C ATOM 1646 CD LYS A 107 12.106 1.199 -11.341 1.00 0.00 C ATOM 1647 CE LYS A 107 12.493 1.395 -12.808 1.00 0.00 C ATOM 1648 NZ LYS A 107 13.952 1.224 -12.987 1.00 0.00 N ATOM 0 H LYS A 107 9.569 0.457 -12.471 1.00 0.00 H new ATOM 0 HA LYS A 107 8.006 1.268 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.821 2.462 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.398 0.835 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.731 2.814 -11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.736 3.060 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.004 1.188 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.621 0.231 -11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.958 0.678 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.194 2.390 -13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.197 1.360 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.457 1.925 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.228 0.266 -12.690 1.00 0.00 H new ATOM 1662 N SER A 108 7.781 3.633 -10.997 1.00 0.00 N ATOM 1663 CA SER A 108 7.298 4.816 -11.689 1.00 0.00 C ATOM 1664 C SER A 108 7.008 5.930 -10.681 1.00 0.00 C ATOM 1665 O SER A 108 6.072 5.828 -9.889 1.00 0.00 O ATOM 1666 CB SER A 108 6.044 4.502 -12.508 1.00 0.00 C ATOM 1667 OG SER A 108 5.982 5.271 -13.705 1.00 0.00 O ATOM 0 H SER A 108 7.654 3.649 -9.985 1.00 0.00 H new ATOM 0 HA SER A 108 8.074 5.150 -12.377 1.00 0.00 H new ATOM 0 HB2 SER A 108 6.030 3.441 -12.758 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.158 4.699 -11.904 1.00 0.00 H new ATOM 0 HG SER A 108 5.168 5.040 -14.200 1.00 0.00 H new ATOM 1673 N GLY A 109 7.828 6.969 -10.743 1.00 0.00 N ATOM 1674 CA GLY A 109 7.671 8.101 -9.846 1.00 0.00 C ATOM 1675 C GLY A 109 8.192 9.387 -10.490 1.00 0.00 C ATOM 1676 O GLY A 109 8.771 9.352 -11.574 1.00 0.00 O ATOM 0 H GLY A 109 8.603 7.050 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.619 8.220 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.209 7.911 -8.917 1.00 0.00 H new ATOM 1680 N PRO A 110 7.962 10.522 -9.776 1.00 0.00 N ATOM 1681 CA PRO A 110 8.401 11.817 -10.266 1.00 0.00 C ATOM 1682 C PRO A 110 9.914 11.980 -10.103 1.00 0.00 C ATOM 1683 O PRO A 110 10.573 11.130 -9.508 1.00 0.00 O ATOM 1684 CB PRO A 110 7.604 12.832 -9.464 1.00 0.00 C ATOM 1685 CG PRO A 110 7.094 12.089 -8.240 1.00 0.00 C ATOM 1686 CD PRO A 110 7.279 10.601 -8.488 1.00 0.00 C ATOM 0 HA PRO A 110 8.223 11.946 -11.334 1.00 0.00 H new ATOM 0 HB2 PRO A 110 8.228 13.678 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.777 13.231 -10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 110 7.641 12.399 -7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.043 12.319 -8.064 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.870 10.138 -7.697 1.00 0.00 H new ATOM 0 HD3 PRO A 110 6.321 10.082 -8.515 1.00 0.00 H new ATOM 1694 N SER A 111 10.419 13.080 -10.643 1.00 0.00 N ATOM 1695 CA SER A 111 11.842 13.366 -10.565 1.00 0.00 C ATOM 1696 C SER A 111 12.308 13.309 -9.109 1.00 0.00 C ATOM 1697 O SER A 111 11.491 13.200 -8.196 1.00 0.00 O ATOM 1698 CB SER A 111 12.163 14.733 -11.172 1.00 0.00 C ATOM 1699 OG SER A 111 11.382 15.773 -10.590 1.00 0.00 O ATOM 0 H SER A 111 9.869 13.783 -11.136 1.00 0.00 H new ATOM 0 HA SER A 111 12.375 12.609 -11.140 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.221 14.953 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.984 14.703 -12.247 1.00 0.00 H new ATOM 0 HG SER A 111 11.618 16.630 -11.003 1.00 0.00 H new ATOM 1705 N SER A 112 13.619 13.387 -8.937 1.00 0.00 N ATOM 1706 CA SER A 112 14.203 13.346 -7.607 1.00 0.00 C ATOM 1707 C SER A 112 14.526 14.764 -7.133 1.00 0.00 C ATOM 1708 O SER A 112 14.016 15.210 -6.107 1.00 0.00 O ATOM 1709 CB SER A 112 15.465 12.480 -7.586 1.00 0.00 C ATOM 1710 OG SER A 112 15.442 11.529 -6.525 1.00 0.00 O ATOM 0 H SER A 112 14.294 13.478 -9.696 1.00 0.00 H new ATOM 0 HA SER A 112 13.476 12.899 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.563 11.959 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.342 13.119 -7.481 1.00 0.00 H new ATOM 0 HG SER A 112 16.263 10.995 -6.547 1.00 0.00 H new ATOM 1716 N GLY A 113 15.370 15.434 -7.904 1.00 0.00 N ATOM 1717 CA GLY A 113 15.767 16.793 -7.575 1.00 0.00 C ATOM 1718 C GLY A 113 16.600 17.408 -8.701 1.00 0.00 C ATOM 1719 O GLY A 113 17.381 16.714 -9.351 1.00 0.00 O ATOM 0 H GLY A 113 15.790 15.061 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 113 14.880 17.402 -7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 113 16.343 16.794 -6.650 1.00 0.00 H new TER 1723 GLY A 113