USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1072 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc=-0.00904 X(o=-0.009,f=-0.47) USER MOD Set 2.1: A 53 ASN : amide:sc= -0.678 K(o=0.5,f=-5.3!) USER MOD Set 2.2: A 57 THR OG1 : rot 132:sc= 1.17 USER MOD Set 3.1: A 35 ASN : amide:sc= 0.364 K(o=0.37,f=-0.96) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= 0.00199 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -161:sc= -0.14 (180deg=-0.619) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.28! C(o=-2.3!,f=-3.8!) USER MOD Single : A 9 SER OG : rot 168:sc= 1.23 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 11 ASN : amide:sc= -5.53! C(o=-5.5!,f=-9.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -161:sc= -0.157 (180deg=-0.777) USER MOD Single : A 18 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.105 (180deg=-0.497) USER MOD Single : A 24 SER OG : rot -3:sc= 0.613 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00979 USER MOD Single : A 34 TYR OH : rot -49:sc= 0.044 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 176:sc= -1.06 (180deg=-1.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00925 USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0.476 (180deg=0.261) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.21 F(o=-4!,f=-1.2) USER MOD Single : A 69 HIS : no HE2:sc= -0.496 K(o=-0.5,f=-7!) USER MOD Single : A 70 HIS :FLIP no HE2:sc= -0.284 F(o=-0.84,f=-0.28) USER MOD Single : A 72 ASN : amide:sc= -0.0409 X(o=-0.041,f=0.024) USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= -0.12 (180deg=-0.856) USER MOD Single : A 78 MET CE :methyl 158:sc= -0.226 (180deg=-0.85) USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0.814 (180deg=0.808) USER MOD Single : A 80 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 86 MET CE :methyl -175:sc= -1.21 (180deg=-1.26) USER MOD Single : A 88 GLN : amide:sc= -0.698 K(o=-0.7,f=-3!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -74:sc= 0.19 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.21) USER MOD Single : A 109 MET CE :methyl -161:sc= -0.129 (180deg=-0.687) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -128:sc= -0.85 (180deg=-4.81!) USER MOD Single : A 119 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.18) USER MOD Single : A 120 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.28) USER MOD Single : A 123 HIS :FLIP no HD1:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0861 K(o=-0.086,f=-1.5) USER MOD Single : A 130 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.917 -15.944 -1.549 1.00 0.00 N ATOM 2 CA SER A 1 -5.743 -15.879 -0.324 1.00 0.00 C ATOM 3 C SER A 1 -6.563 -14.592 -0.289 1.00 0.00 C ATOM 4 O SER A 1 -6.014 -13.496 -0.429 1.00 0.00 O ATOM 5 CB SER A 1 -4.845 -15.964 0.912 1.00 0.00 C ATOM 6 OG SER A 1 -4.187 -17.218 0.976 1.00 0.00 O ATOM 0 H1 SER A 1 -4.368 -16.827 -1.551 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.534 -15.918 -2.386 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.267 -15.133 -1.573 1.00 0.00 H new ATOM 0 HA SER A 1 -6.433 -16.723 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.107 -15.163 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.443 -15.817 1.811 1.00 0.00 H new ATOM 0 HG SER A 1 -3.618 -17.248 1.773 1.00 0.00 H new ATOM 14 N PRO A 2 -7.894 -14.709 -0.107 1.00 0.00 N ATOM 15 CA PRO A 2 -8.794 -13.550 -0.018 1.00 0.00 C ATOM 16 C PRO A 2 -8.426 -12.609 1.128 1.00 0.00 C ATOM 17 O PRO A 2 -8.787 -11.436 1.107 1.00 0.00 O ATOM 18 CB PRO A 2 -10.170 -14.177 0.231 1.00 0.00 C ATOM 19 CG PRO A 2 -10.048 -15.576 -0.260 1.00 0.00 C ATOM 20 CD PRO A 2 -8.629 -15.980 0.006 1.00 0.00 C ATOM 0 HA PRO A 2 -8.747 -12.936 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.430 -14.151 1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.952 -13.638 -0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.746 -16.234 0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.280 -15.639 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.515 -16.425 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.277 -16.715 -0.717 1.00 0.00 H new ATOM 28 N GLU A 3 -7.711 -13.135 2.117 1.00 0.00 N ATOM 29 CA GLU A 3 -7.199 -12.335 3.227 1.00 0.00 C ATOM 30 C GLU A 3 -6.466 -11.089 2.724 1.00 0.00 C ATOM 31 O GLU A 3 -6.943 -9.970 2.913 1.00 0.00 O ATOM 32 CB GLU A 3 -6.263 -13.166 4.117 1.00 0.00 C ATOM 33 CG GLU A 3 -6.959 -14.278 4.895 1.00 0.00 C ATOM 34 CD GLU A 3 -7.104 -15.572 4.114 1.00 0.00 C ATOM 35 OE1 GLU A 3 -7.767 -15.574 3.058 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.558 -16.602 4.564 1.00 0.00 O ATOM 0 H GLU A 3 -7.470 -14.125 2.173 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.057 -12.016 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.485 -13.607 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.767 -12.500 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.398 -14.476 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.948 -13.934 5.197 1.00 0.00 H new ATOM 43 N ILE A 4 -5.317 -11.284 2.076 1.00 0.00 N ATOM 44 CA ILE A 4 -4.554 -10.176 1.535 1.00 0.00 C ATOM 45 C ILE A 4 -5.190 -9.637 0.244 1.00 0.00 C ATOM 46 O ILE A 4 -4.900 -8.519 -0.190 1.00 0.00 O ATOM 47 CB ILE A 4 -3.083 -10.611 1.293 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.371 -10.840 2.626 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.317 -9.600 0.453 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.407 -9.641 3.552 1.00 0.00 C ATOM 0 H ILE A 4 -4.900 -12.201 1.917 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.562 -9.365 2.263 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.109 -11.546 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.829 -11.691 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.332 -11.106 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.294 -9.947 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.802 -9.491 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.306 -8.637 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.882 -9.880 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.923 -8.793 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.443 -9.387 3.778 1.00 0.00 H new ATOM 62 N MET A 5 -6.083 -10.419 -0.354 1.00 0.00 N ATOM 63 CA MET A 5 -6.782 -9.991 -1.557 1.00 0.00 C ATOM 64 C MET A 5 -7.733 -8.850 -1.210 1.00 0.00 C ATOM 65 O MET A 5 -7.811 -7.845 -1.920 1.00 0.00 O ATOM 66 CB MET A 5 -7.552 -11.167 -2.163 1.00 0.00 C ATOM 67 CG MET A 5 -7.734 -11.092 -3.675 1.00 0.00 C ATOM 68 SD MET A 5 -8.806 -9.739 -4.210 1.00 0.00 S ATOM 69 CE MET A 5 -10.354 -10.194 -3.433 1.00 0.00 C ATOM 0 H MET A 5 -6.338 -11.350 -0.025 1.00 0.00 H new ATOM 0 HA MET A 5 -6.059 -9.639 -2.293 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.030 -12.092 -1.918 1.00 0.00 H new ATOM 0 HB3 MET A 5 -8.534 -11.222 -1.694 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.757 -10.977 -4.145 1.00 0.00 H new ATOM 0 HG3 MET A 5 -8.150 -12.035 -4.030 1.00 0.00 H new ATOM 0 HE1 MET A 5 -11.175 -9.671 -3.924 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.504 -11.270 -3.523 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.327 -9.918 -2.379 1.00 0.00 H new ATOM 79 N LYS A 6 -8.437 -9.010 -0.100 1.00 0.00 N ATOM 80 CA LYS A 6 -9.338 -7.987 0.391 1.00 0.00 C ATOM 81 C LYS A 6 -8.537 -6.923 1.137 1.00 0.00 C ATOM 82 O LYS A 6 -8.362 -6.990 2.356 1.00 0.00 O ATOM 83 CB LYS A 6 -10.407 -8.616 1.294 1.00 0.00 C ATOM 84 CG LYS A 6 -11.525 -7.668 1.693 1.00 0.00 C ATOM 85 CD LYS A 6 -12.187 -7.049 0.474 1.00 0.00 C ATOM 86 CE LYS A 6 -13.369 -6.180 0.866 1.00 0.00 C ATOM 87 NZ LYS A 6 -13.731 -5.231 -0.214 1.00 0.00 N ATOM 0 H LYS A 6 -8.398 -9.848 0.480 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.848 -7.512 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.840 -9.474 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.927 -8.993 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.269 -8.207 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.126 -6.880 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.459 -6.450 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.521 -7.838 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.226 -6.813 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.129 -5.625 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.542 -4.654 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.921 -4.611 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.984 -5.762 -1.072 1.00 0.00 H new ATOM 101 N ASN A 7 -8.023 -5.965 0.381 1.00 0.00 N ATOM 102 CA ASN A 7 -7.155 -4.926 0.919 1.00 0.00 C ATOM 103 C ASN A 7 -7.868 -4.056 1.955 1.00 0.00 C ATOM 104 O ASN A 7 -8.927 -3.473 1.696 1.00 0.00 O ATOM 105 CB ASN A 7 -6.572 -4.060 -0.209 1.00 0.00 C ATOM 106 CG ASN A 7 -7.554 -3.782 -1.337 1.00 0.00 C ATOM 107 OD1 ASN A 7 -8.768 -3.737 -1.135 1.00 0.00 O ATOM 108 ND2 ASN A 7 -7.029 -3.598 -2.538 1.00 0.00 N ATOM 0 H ASN A 7 -8.195 -5.885 -0.621 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.335 -5.430 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.236 -3.112 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.693 -4.557 -0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.635 -3.411 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.018 -3.643 -2.665 1.00 0.00 H new ATOM 115 N LEU A 8 -7.255 -3.970 3.133 1.00 0.00 N ATOM 116 CA LEU A 8 -7.812 -3.226 4.255 1.00 0.00 C ATOM 117 C LEU A 8 -7.958 -1.745 3.926 1.00 0.00 C ATOM 118 O LEU A 8 -8.861 -1.081 4.429 1.00 0.00 O ATOM 119 CB LEU A 8 -6.951 -3.400 5.519 1.00 0.00 C ATOM 120 CG LEU A 8 -5.501 -2.896 5.434 1.00 0.00 C ATOM 121 CD1 LEU A 8 -4.922 -2.732 6.830 1.00 0.00 C ATOM 122 CD2 LEU A 8 -4.631 -3.848 4.623 1.00 0.00 C ATOM 0 H LEU A 8 -6.359 -4.414 3.335 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.804 -3.634 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.444 -2.883 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.930 -4.459 5.775 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.511 -1.930 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.895 -2.375 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.519 -2.011 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.937 -3.692 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.612 -3.464 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.629 -4.831 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.029 -3.932 3.612 1.00 0.00 H new ATOM 134 N SER A 9 -7.082 -1.237 3.069 1.00 0.00 N ATOM 135 CA SER A 9 -7.119 0.167 2.691 1.00 0.00 C ATOM 136 C SER A 9 -8.441 0.511 2.003 1.00 0.00 C ATOM 137 O SER A 9 -9.042 1.556 2.274 1.00 0.00 O ATOM 138 CB SER A 9 -5.946 0.467 1.761 1.00 0.00 C ATOM 139 OG SER A 9 -4.752 -0.102 2.271 1.00 0.00 O ATOM 0 H SER A 9 -6.339 -1.776 2.624 1.00 0.00 H new ATOM 0 HA SER A 9 -7.040 0.779 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.151 0.068 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.826 1.545 1.654 1.00 0.00 H new ATOM 0 HG SER A 9 -4.054 -0.068 1.584 1.00 0.00 H new ATOM 145 N ASN A 10 -8.900 -0.385 1.133 1.00 0.00 N ATOM 146 CA ASN A 10 -10.181 -0.217 0.458 1.00 0.00 C ATOM 147 C ASN A 10 -11.337 -0.578 1.378 1.00 0.00 C ATOM 148 O ASN A 10 -12.476 -0.189 1.128 1.00 0.00 O ATOM 149 CB ASN A 10 -10.236 -1.038 -0.830 1.00 0.00 C ATOM 150 CG ASN A 10 -9.368 -0.449 -1.928 1.00 0.00 C ATOM 151 OD1 ASN A 10 -8.178 -0.744 -2.018 1.00 0.00 O ATOM 152 ND2 ASN A 10 -9.958 0.377 -2.777 1.00 0.00 N ATOM 0 H ASN A 10 -8.401 -1.237 0.879 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.279 0.835 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.912 -2.058 -0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.268 -1.096 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.423 0.793 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.948 0.597 -2.669 1.00 0.00 H new ATOM 159 N ASN A 11 -11.046 -1.329 2.442 1.00 0.00 N ATOM 160 CA ASN A 11 -12.062 -1.618 3.454 1.00 0.00 C ATOM 161 C ASN A 11 -12.432 -0.331 4.165 1.00 0.00 C ATOM 162 O ASN A 11 -13.612 0.003 4.288 1.00 0.00 O ATOM 163 CB ASN A 11 -11.575 -2.637 4.491 1.00 0.00 C ATOM 164 CG ASN A 11 -11.373 -4.025 3.924 1.00 0.00 C ATOM 165 OD1 ASN A 11 -11.980 -4.394 2.922 1.00 0.00 O ATOM 166 ND2 ASN A 11 -10.541 -4.812 4.586 1.00 0.00 N ATOM 0 H ASN A 11 -10.131 -1.742 2.623 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.925 -2.047 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.635 -2.288 4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.297 -2.688 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.382 -5.768 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.058 -4.463 5.414 1.00 0.00 H new ATOM 173 N PHE A 12 -11.414 0.370 4.655 1.00 0.00 N ATOM 174 CA PHE A 12 -11.589 1.727 5.171 1.00 0.00 C ATOM 175 C PHE A 12 -12.191 2.648 4.100 1.00 0.00 C ATOM 176 O PHE A 12 -13.410 2.831 4.064 1.00 0.00 O ATOM 177 CB PHE A 12 -10.259 2.294 5.682 1.00 0.00 C ATOM 178 CG PHE A 12 -9.728 1.587 6.902 1.00 0.00 C ATOM 179 CD1 PHE A 12 -10.225 1.885 8.160 1.00 0.00 C ATOM 180 CD2 PHE A 12 -8.735 0.630 6.789 1.00 0.00 C ATOM 181 CE1 PHE A 12 -9.743 1.239 9.282 1.00 0.00 C ATOM 182 CE2 PHE A 12 -8.247 -0.020 7.908 1.00 0.00 C ATOM 183 CZ PHE A 12 -8.752 0.285 9.155 1.00 0.00 C ATOM 0 H PHE A 12 -10.457 0.021 4.706 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.284 1.678 6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.518 2.232 4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.390 3.351 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.999 2.631 8.265 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.336 0.388 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.140 1.479 10.257 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.472 -0.765 7.806 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.373 -0.221 10.031 1.00 0.00 H new ATOM 193 N GLY A 13 -11.345 3.213 3.222 1.00 0.00 N ATOM 194 CA GLY A 13 -11.829 4.069 2.145 1.00 0.00 C ATOM 195 C GLY A 13 -12.755 5.187 2.607 1.00 0.00 C ATOM 196 O GLY A 13 -13.688 5.547 1.889 1.00 0.00 O ATOM 0 H GLY A 13 -10.333 3.089 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.973 4.509 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.356 3.454 1.415 1.00 0.00 H new ATOM 200 N LYS A 14 -12.504 5.736 3.795 1.00 0.00 N ATOM 201 CA LYS A 14 -13.325 6.817 4.329 1.00 0.00 C ATOM 202 C LYS A 14 -13.302 8.035 3.406 1.00 0.00 C ATOM 203 O LYS A 14 -14.348 8.498 2.949 1.00 0.00 O ATOM 204 CB LYS A 14 -12.843 7.212 5.728 1.00 0.00 C ATOM 205 CG LYS A 14 -13.646 8.345 6.347 1.00 0.00 C ATOM 206 CD LYS A 14 -13.180 8.664 7.758 1.00 0.00 C ATOM 207 CE LYS A 14 -13.981 9.809 8.357 1.00 0.00 C ATOM 208 NZ LYS A 14 -13.613 10.068 9.773 1.00 0.00 N ATOM 0 H LYS A 14 -11.738 5.449 4.404 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.351 6.456 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.895 6.341 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.795 7.507 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.557 9.236 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.702 8.074 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.281 7.779 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.122 8.926 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.817 10.712 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.044 9.578 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.183 10.856 10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.794 9.215 10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.604 10.314 9.830 1.00 0.00 H new ATOM 222 N ALA A 15 -12.109 8.542 3.121 1.00 0.00 N ATOM 223 CA ALA A 15 -11.958 9.730 2.295 1.00 0.00 C ATOM 224 C ALA A 15 -10.708 9.634 1.429 1.00 0.00 C ATOM 225 O ALA A 15 -9.589 9.728 1.925 1.00 0.00 O ATOM 226 CB ALA A 15 -11.912 10.977 3.166 1.00 0.00 C ATOM 0 H ALA A 15 -11.229 8.146 3.452 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.822 9.800 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.799 11.858 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.837 11.056 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.067 10.911 3.851 1.00 0.00 H new ATOM 232 N MET A 16 -10.898 9.421 0.137 1.00 0.00 N ATOM 233 CA MET A 16 -9.774 9.259 -0.778 1.00 0.00 C ATOM 234 C MET A 16 -9.036 10.581 -0.970 1.00 0.00 C ATOM 235 O MET A 16 -7.816 10.602 -1.146 1.00 0.00 O ATOM 236 CB MET A 16 -10.250 8.734 -2.136 1.00 0.00 C ATOM 237 CG MET A 16 -10.935 7.381 -2.068 1.00 0.00 C ATOM 238 SD MET A 16 -11.403 6.757 -3.696 1.00 0.00 S ATOM 239 CE MET A 16 -12.447 8.090 -4.283 1.00 0.00 C ATOM 0 H MET A 16 -11.816 9.356 -0.303 1.00 0.00 H new ATOM 0 HA MET A 16 -9.090 8.533 -0.338 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.939 9.457 -2.573 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.394 8.663 -2.807 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.269 6.665 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.825 7.459 -1.443 1.00 0.00 H new ATOM 0 HE1 MET A 16 -13.074 7.729 -5.099 1.00 0.00 H new ATOM 0 HE2 MET A 16 -13.079 8.443 -3.468 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.824 8.910 -4.640 1.00 0.00 H new ATOM 249 N ASP A 17 -9.781 11.682 -0.911 1.00 0.00 N ATOM 250 CA ASP A 17 -9.212 13.011 -1.137 1.00 0.00 C ATOM 251 C ASP A 17 -8.191 13.385 -0.062 1.00 0.00 C ATOM 252 O ASP A 17 -7.302 14.207 -0.296 1.00 0.00 O ATOM 253 CB ASP A 17 -10.311 14.074 -1.209 1.00 0.00 C ATOM 254 CG ASP A 17 -9.764 15.454 -1.533 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.386 15.691 -2.701 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.709 16.308 -0.623 1.00 0.00 O ATOM 0 H ASP A 17 -10.781 11.682 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.693 12.975 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.040 13.788 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.840 14.111 -0.257 1.00 0.00 H new ATOM 261 N GLN A 18 -8.285 12.761 1.102 1.00 0.00 N ATOM 262 CA GLN A 18 -7.404 13.117 2.208 1.00 0.00 C ATOM 263 C GLN A 18 -6.074 12.381 2.076 1.00 0.00 C ATOM 264 O GLN A 18 -5.036 12.871 2.515 1.00 0.00 O ATOM 265 CB GLN A 18 -8.059 12.782 3.555 1.00 0.00 C ATOM 266 CG GLN A 18 -8.025 11.301 3.908 1.00 0.00 C ATOM 267 CD GLN A 18 -8.849 10.959 5.137 1.00 0.00 C ATOM 268 OE1 GLN A 18 -9.384 9.857 5.248 1.00 0.00 O ATOM 269 NE2 GLN A 18 -8.963 11.897 6.063 1.00 0.00 N ATOM 0 H GLN A 18 -8.951 12.016 1.306 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.223 14.191 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.556 13.344 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.096 13.117 3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.393 10.724 3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.992 10.998 4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.504 12.799 5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.510 11.718 6.905 1.00 0.00 H new ATOM 278 N CYS A 19 -6.100 11.225 1.427 1.00 0.00 N ATOM 279 CA CYS A 19 -4.868 10.521 1.124 1.00 0.00 C ATOM 280 C CYS A 19 -4.166 11.219 -0.031 1.00 0.00 C ATOM 281 O CYS A 19 -2.944 11.346 -0.051 1.00 0.00 O ATOM 282 CB CYS A 19 -5.136 9.045 0.786 1.00 0.00 C ATOM 283 SG CYS A 19 -3.714 8.183 0.041 1.00 0.00 S ATOM 0 H CYS A 19 -6.950 10.762 1.105 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.226 10.539 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.428 8.522 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.982 8.988 0.101 1.00 0.00 H new ATOM 288 N LYS A 20 -4.967 11.729 -0.956 1.00 0.00 N ATOM 289 CA LYS A 20 -4.474 12.396 -2.141 1.00 0.00 C ATOM 290 C LYS A 20 -3.677 13.641 -1.776 1.00 0.00 C ATOM 291 O LYS A 20 -2.568 13.837 -2.269 1.00 0.00 O ATOM 292 CB LYS A 20 -5.653 12.763 -3.042 1.00 0.00 C ATOM 293 CG LYS A 20 -5.405 12.464 -4.506 1.00 0.00 C ATOM 294 CD LYS A 20 -4.215 13.234 -5.042 1.00 0.00 C ATOM 295 CE LYS A 20 -4.520 14.718 -5.195 1.00 0.00 C ATOM 296 NZ LYS A 20 -5.653 14.964 -6.124 1.00 0.00 N ATOM 0 H LYS A 20 -5.985 11.688 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.806 11.719 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.537 12.218 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.872 13.825 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.235 11.395 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.293 12.718 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.367 13.105 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.922 12.822 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.754 15.142 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.633 15.234 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.626 15.951 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.576 14.326 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.551 14.787 -5.631 1.00 0.00 H new ATOM 310 N ASP A 21 -4.231 14.471 -0.905 1.00 0.00 N ATOM 311 CA ASP A 21 -3.577 15.722 -0.542 1.00 0.00 C ATOM 312 C ASP A 21 -2.407 15.480 0.409 1.00 0.00 C ATOM 313 O ASP A 21 -1.324 16.036 0.217 1.00 0.00 O ATOM 314 CB ASP A 21 -4.576 16.702 0.079 1.00 0.00 C ATOM 315 CG ASP A 21 -3.982 18.087 0.256 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.947 18.852 -0.734 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.560 18.422 1.382 1.00 0.00 O ATOM 0 H ASP A 21 -5.123 14.305 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.184 16.164 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.461 16.766 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.902 16.322 1.047 1.00 0.00 H new ATOM 322 N GLU A 22 -2.612 14.624 1.411 1.00 0.00 N ATOM 323 CA GLU A 22 -1.577 14.341 2.403 1.00 0.00 C ATOM 324 C GLU A 22 -0.351 13.686 1.756 1.00 0.00 C ATOM 325 O GLU A 22 0.785 14.031 2.081 1.00 0.00 O ATOM 326 CB GLU A 22 -2.150 13.453 3.510 1.00 0.00 C ATOM 327 CG GLU A 22 -1.147 13.033 4.571 1.00 0.00 C ATOM 328 CD GLU A 22 -0.816 14.142 5.548 1.00 0.00 C ATOM 329 OE1 GLU A 22 -1.699 14.982 5.825 1.00 0.00 O ATOM 330 OE2 GLU A 22 0.312 14.153 6.079 1.00 0.00 O ATOM 0 H GLU A 22 -3.484 14.116 1.556 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.249 15.284 2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.970 13.983 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.574 12.557 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.544 12.180 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.230 12.700 4.084 1.00 0.00 H new ATOM 337 N LEU A 23 -0.580 12.750 0.837 1.00 0.00 N ATOM 338 CA LEU A 23 0.522 12.113 0.106 1.00 0.00 C ATOM 339 C LEU A 23 0.998 13.032 -1.002 1.00 0.00 C ATOM 340 O LEU A 23 2.137 12.935 -1.466 1.00 0.00 O ATOM 341 CB LEU A 23 0.075 10.800 -0.544 1.00 0.00 C ATOM 342 CG LEU A 23 0.021 9.550 0.333 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.411 9.031 0.641 1.00 0.00 C ATOM 344 CD2 LEU A 23 -0.741 9.826 1.608 1.00 0.00 C ATOM 0 H LEU A 23 -1.509 12.416 0.580 1.00 0.00 H new ATOM 0 HA LEU A 23 1.318 11.913 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.918 10.956 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.746 10.594 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.506 8.775 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.337 8.141 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.920 8.779 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.978 9.799 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.768 8.923 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.247 10.624 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.759 10.130 1.365 1.00 0.00 H new ATOM 356 N SER A 24 0.105 13.927 -1.405 1.00 0.00 N ATOM 357 CA SER A 24 0.342 14.823 -2.525 1.00 0.00 C ATOM 358 C SER A 24 0.566 14.021 -3.808 1.00 0.00 C ATOM 359 O SER A 24 1.538 14.241 -4.531 1.00 0.00 O ATOM 360 CB SER A 24 1.528 15.742 -2.227 1.00 0.00 C ATOM 361 OG SER A 24 1.290 16.503 -1.052 1.00 0.00 O ATOM 0 H SER A 24 -0.805 14.051 -0.962 1.00 0.00 H new ATOM 0 HA SER A 24 -0.538 15.449 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.433 15.147 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.698 16.410 -3.071 1.00 0.00 H new ATOM 0 HG SER A 24 0.390 16.312 -0.715 1.00 0.00 H new ATOM 367 N LEU A 25 -0.344 13.081 -4.077 1.00 0.00 N ATOM 368 CA LEU A 25 -0.251 12.242 -5.270 1.00 0.00 C ATOM 369 C LEU A 25 -0.315 13.085 -6.539 1.00 0.00 C ATOM 370 O LEU A 25 -1.186 13.944 -6.673 1.00 0.00 O ATOM 371 CB LEU A 25 -1.377 11.196 -5.337 1.00 0.00 C ATOM 372 CG LEU A 25 -1.330 10.058 -4.312 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.093 9.657 -4.001 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.057 10.434 -3.041 1.00 0.00 C ATOM 0 H LEU A 25 -1.151 12.884 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 25 0.709 11.730 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.329 11.715 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.371 10.755 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.837 9.202 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.092 8.848 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.584 9.321 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.631 10.513 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.006 9.606 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.590 11.316 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.100 10.652 -3.269 1.00 0.00 H new ATOM 386 N PRO A 26 0.614 12.869 -7.480 1.00 0.00 N ATOM 387 CA PRO A 26 0.511 13.442 -8.820 1.00 0.00 C ATOM 388 C PRO A 26 -0.560 12.715 -9.630 1.00 0.00 C ATOM 389 O PRO A 26 -0.845 11.541 -9.372 1.00 0.00 O ATOM 390 CB PRO A 26 1.895 13.208 -9.442 1.00 0.00 C ATOM 391 CG PRO A 26 2.759 12.676 -8.345 1.00 0.00 C ATOM 392 CD PRO A 26 1.836 12.070 -7.326 1.00 0.00 C ATOM 0 HA PRO A 26 0.232 14.495 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.836 12.500 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.303 14.135 -9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.456 11.931 -8.728 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.356 13.473 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.656 11.013 -7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.243 12.143 -6.317 1.00 0.00 H new ATOM 400 N ASP A 27 -1.142 13.392 -10.615 1.00 0.00 N ATOM 401 CA ASP A 27 -2.238 12.809 -11.391 1.00 0.00 C ATOM 402 C ASP A 27 -1.749 11.616 -12.208 1.00 0.00 C ATOM 403 O ASP A 27 -2.511 10.696 -12.506 1.00 0.00 O ATOM 404 CB ASP A 27 -2.899 13.848 -12.305 1.00 0.00 C ATOM 405 CG ASP A 27 -2.177 14.031 -13.627 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.109 14.672 -13.640 1.00 0.00 O ATOM 407 OD2 ASP A 27 -2.674 13.533 -14.660 1.00 0.00 O ATOM 0 H ASP A 27 -0.878 14.337 -10.895 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.990 12.462 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.928 13.548 -12.500 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.939 14.805 -11.785 1.00 0.00 H new ATOM 412 N SER A 28 -0.470 11.622 -12.548 1.00 0.00 N ATOM 413 CA SER A 28 0.129 10.507 -13.259 1.00 0.00 C ATOM 414 C SER A 28 0.079 9.247 -12.396 1.00 0.00 C ATOM 415 O SER A 28 -0.242 8.153 -12.875 1.00 0.00 O ATOM 416 CB SER A 28 1.573 10.851 -13.614 1.00 0.00 C ATOM 417 OG SER A 28 1.661 12.182 -14.101 1.00 0.00 O ATOM 0 H SER A 28 0.172 12.387 -12.342 1.00 0.00 H new ATOM 0 HA SER A 28 -0.430 10.319 -14.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.207 10.736 -12.735 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.944 10.156 -14.368 1.00 0.00 H new ATOM 0 HG SER A 28 2.593 12.388 -14.323 1.00 0.00 H new ATOM 423 N VAL A 29 0.346 9.422 -11.108 1.00 0.00 N ATOM 424 CA VAL A 29 0.405 8.306 -10.186 1.00 0.00 C ATOM 425 C VAL A 29 -0.988 7.826 -9.808 1.00 0.00 C ATOM 426 O VAL A 29 -1.230 6.627 -9.790 1.00 0.00 O ATOM 427 CB VAL A 29 1.188 8.658 -8.915 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.374 7.420 -8.056 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.528 9.276 -9.275 1.00 0.00 C ATOM 0 H VAL A 29 0.525 10.331 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 29 0.929 7.502 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 29 0.621 9.391 -8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.931 7.682 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.399 7.022 -7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.926 6.667 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.073 9.521 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.109 8.567 -9.865 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.366 10.184 -9.855 1.00 0.00 H new ATOM 439 N VAL A 30 -1.910 8.754 -9.522 1.00 0.00 N ATOM 440 CA VAL A 30 -3.280 8.368 -9.175 1.00 0.00 C ATOM 441 C VAL A 30 -3.878 7.508 -10.287 1.00 0.00 C ATOM 442 O VAL A 30 -4.587 6.538 -10.029 1.00 0.00 O ATOM 443 CB VAL A 30 -4.206 9.582 -8.906 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.659 10.434 -7.782 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.423 10.425 -10.151 1.00 0.00 C ATOM 0 H VAL A 30 -1.736 9.759 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.217 7.801 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.176 9.184 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.324 11.280 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.590 9.836 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.668 10.800 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.078 11.263 -9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.464 10.803 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.883 9.815 -10.928 1.00 0.00 H new ATOM 455 N ALA A 31 -3.542 7.851 -11.527 1.00 0.00 N ATOM 456 CA ALA A 31 -4.013 7.115 -12.690 1.00 0.00 C ATOM 457 C ALA A 31 -3.463 5.692 -12.717 1.00 0.00 C ATOM 458 O ALA A 31 -4.221 4.729 -12.852 1.00 0.00 O ATOM 459 CB ALA A 31 -3.596 7.840 -13.949 1.00 0.00 C ATOM 0 H ALA A 31 -2.939 8.643 -11.751 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.100 7.055 -12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.949 7.288 -14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.029 8.840 -13.953 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.509 7.915 -13.983 1.00 0.00 H new ATOM 465 N ASP A 32 -2.144 5.564 -12.589 1.00 0.00 N ATOM 466 CA ASP A 32 -1.504 4.248 -12.576 1.00 0.00 C ATOM 467 C ASP A 32 -1.945 3.453 -11.358 1.00 0.00 C ATOM 468 O ASP A 32 -2.145 2.244 -11.427 1.00 0.00 O ATOM 469 CB ASP A 32 0.024 4.382 -12.573 1.00 0.00 C ATOM 470 CG ASP A 32 0.615 4.525 -13.962 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.511 5.619 -14.553 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.200 3.546 -14.463 1.00 0.00 O ATOM 0 H ASP A 32 -1.500 6.349 -12.493 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.810 3.721 -13.480 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.305 5.249 -11.975 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.458 3.507 -12.089 1.00 0.00 H new ATOM 477 N LEU A 33 -2.107 4.155 -10.251 1.00 0.00 N ATOM 478 CA LEU A 33 -2.534 3.561 -8.993 1.00 0.00 C ATOM 479 C LEU A 33 -3.907 2.894 -9.110 1.00 0.00 C ATOM 480 O LEU A 33 -4.108 1.790 -8.600 1.00 0.00 O ATOM 481 CB LEU A 33 -2.503 4.648 -7.909 1.00 0.00 C ATOM 482 CG LEU A 33 -3.385 4.449 -6.678 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.666 4.955 -5.445 1.00 0.00 C ATOM 484 CD2 LEU A 33 -4.686 5.203 -6.857 1.00 0.00 C ATOM 0 H LEU A 33 -1.945 5.161 -10.197 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.848 2.760 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.473 4.754 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.784 5.593 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.598 3.387 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.299 4.811 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.735 4.403 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.445 6.016 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.314 5.060 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.476 6.265 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.206 4.828 -7.739 1.00 0.00 H new ATOM 496 N TYR A 34 -4.848 3.557 -9.774 1.00 0.00 N ATOM 497 CA TYR A 34 -6.194 3.001 -9.949 1.00 0.00 C ATOM 498 C TYR A 34 -6.300 1.902 -11.026 1.00 0.00 C ATOM 499 O TYR A 34 -7.414 1.511 -11.379 1.00 0.00 O ATOM 500 CB TYR A 34 -7.207 4.114 -10.231 1.00 0.00 C ATOM 501 CG TYR A 34 -7.523 4.933 -9.004 1.00 0.00 C ATOM 502 CD1 TYR A 34 -7.990 4.318 -7.850 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.337 6.309 -8.984 1.00 0.00 C ATOM 504 CE1 TYR A 34 -8.255 5.047 -6.710 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.607 7.048 -7.847 1.00 0.00 C ATOM 506 CZ TYR A 34 -8.063 6.409 -6.712 1.00 0.00 C ATOM 507 OH TYR A 34 -8.306 7.130 -5.570 1.00 0.00 O ATOM 0 H TYR A 34 -4.710 4.474 -10.199 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.426 2.513 -9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.815 4.769 -11.010 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.127 3.674 -10.617 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.148 3.250 -7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.976 6.810 -9.870 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.612 4.551 -5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.462 8.118 -7.847 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.187 6.892 -5.214 1.00 0.00 H new ATOM 517 N ASN A 35 -5.179 1.407 -11.561 1.00 0.00 N ATOM 518 CA ASN A 35 -5.237 0.371 -12.586 1.00 0.00 C ATOM 519 C ASN A 35 -5.805 -0.927 -12.010 1.00 0.00 C ATOM 520 O ASN A 35 -5.411 -1.375 -10.932 1.00 0.00 O ATOM 521 CB ASN A 35 -3.864 0.125 -13.230 1.00 0.00 C ATOM 522 CG ASN A 35 -2.886 -0.641 -12.351 1.00 0.00 C ATOM 523 OD1 ASN A 35 -2.859 -0.496 -11.129 1.00 0.00 O ATOM 524 ND2 ASN A 35 -2.076 -1.473 -12.981 1.00 0.00 N ATOM 0 H ASN A 35 -4.238 1.704 -11.304 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.905 0.726 -13.371 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.006 -0.425 -14.160 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.422 1.086 -13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.398 -2.023 -12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.128 -1.566 -13.995 1.00 0.00 H new ATOM 531 N PHE A 36 -6.765 -1.509 -12.709 1.00 0.00 N ATOM 532 CA PHE A 36 -7.392 -2.743 -12.254 1.00 0.00 C ATOM 533 C PHE A 36 -6.666 -3.962 -12.816 1.00 0.00 C ATOM 534 O PHE A 36 -6.952 -5.100 -12.440 1.00 0.00 O ATOM 535 CB PHE A 36 -8.865 -2.772 -12.671 1.00 0.00 C ATOM 536 CG PHE A 36 -9.642 -1.577 -12.198 1.00 0.00 C ATOM 537 CD1 PHE A 36 -10.055 -1.480 -10.878 1.00 0.00 C ATOM 538 CD2 PHE A 36 -9.958 -0.552 -13.074 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.768 -0.379 -10.443 1.00 0.00 C ATOM 540 CE2 PHE A 36 -10.672 0.548 -12.644 1.00 0.00 C ATOM 541 CZ PHE A 36 -11.078 0.635 -11.327 1.00 0.00 C ATOM 0 H PHE A 36 -7.128 -1.150 -13.592 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.328 -2.776 -11.166 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.926 -2.829 -13.758 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.329 -3.677 -12.278 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.817 -2.272 -10.183 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.642 -0.614 -14.105 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.083 -0.312 -9.412 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.913 1.340 -13.337 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.637 1.495 -10.989 1.00 0.00 H new ATOM 551 N TRP A 37 -5.729 -3.714 -13.717 1.00 0.00 N ATOM 552 CA TRP A 37 -4.995 -4.787 -14.373 1.00 0.00 C ATOM 553 C TRP A 37 -3.730 -5.123 -13.600 1.00 0.00 C ATOM 554 O TRP A 37 -2.729 -4.409 -13.672 1.00 0.00 O ATOM 555 CB TRP A 37 -4.656 -4.395 -15.809 1.00 0.00 C ATOM 556 CG TRP A 37 -5.835 -3.849 -16.557 1.00 0.00 C ATOM 557 CD1 TRP A 37 -6.775 -4.561 -17.244 1.00 0.00 C ATOM 558 CD2 TRP A 37 -6.200 -2.470 -16.687 1.00 0.00 C ATOM 559 NE1 TRP A 37 -7.704 -3.709 -17.788 1.00 0.00 N ATOM 560 CE2 TRP A 37 -7.372 -2.421 -17.462 1.00 0.00 C ATOM 561 CE3 TRP A 37 -5.650 -1.274 -16.219 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -8.000 -1.222 -17.783 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -6.273 -0.084 -16.538 1.00 0.00 C ATOM 564 CH2 TRP A 37 -7.439 -0.066 -17.311 1.00 0.00 C ATOM 0 H TRP A 37 -5.457 -2.776 -14.012 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.627 -5.675 -14.394 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.861 -3.649 -15.799 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.269 -5.267 -16.337 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.786 -5.636 -17.345 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -8.511 -3.990 -18.345 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.753 -1.280 -15.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -8.898 -1.204 -18.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.854 0.847 -16.186 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.906 0.880 -17.540 1.00 0.00 H new ATOM 575 N LYS A 38 -3.784 -6.213 -12.857 1.00 0.00 N ATOM 576 CA LYS A 38 -2.678 -6.628 -12.011 1.00 0.00 C ATOM 577 C LYS A 38 -1.735 -7.555 -12.773 1.00 0.00 C ATOM 578 O LYS A 38 -1.617 -8.739 -12.460 1.00 0.00 O ATOM 579 CB LYS A 38 -3.223 -7.308 -10.754 1.00 0.00 C ATOM 580 CG LYS A 38 -4.056 -6.371 -9.891 1.00 0.00 C ATOM 581 CD LYS A 38 -4.807 -7.115 -8.796 1.00 0.00 C ATOM 582 CE LYS A 38 -6.023 -7.841 -9.352 1.00 0.00 C ATOM 583 NZ LYS A 38 -6.819 -8.497 -8.281 1.00 0.00 N ATOM 0 H LYS A 38 -4.592 -6.834 -12.822 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.105 -5.750 -11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.832 -8.164 -11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.391 -7.693 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.406 -5.622 -9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.768 -5.837 -10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.140 -7.832 -8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.122 -6.411 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.653 -7.133 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.699 -8.591 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.638 -8.980 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.226 -9.192 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.151 -7.779 -7.606 1.00 0.00 H new ATOM 597 N ASP A 39 -1.092 -6.999 -13.797 1.00 0.00 N ATOM 598 CA ASP A 39 -0.173 -7.750 -14.673 1.00 0.00 C ATOM 599 C ASP A 39 1.079 -8.332 -13.973 1.00 0.00 C ATOM 600 O ASP A 39 1.990 -8.783 -14.670 1.00 0.00 O ATOM 601 CB ASP A 39 0.308 -6.852 -15.820 1.00 0.00 C ATOM 602 CG ASP A 39 -0.818 -6.230 -16.619 1.00 0.00 C ATOM 603 OD1 ASP A 39 -1.466 -6.941 -17.410 1.00 0.00 O ATOM 604 OD2 ASP A 39 -1.040 -5.011 -16.479 1.00 0.00 O ATOM 0 H ASP A 39 -1.188 -6.015 -14.050 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.762 -8.597 -15.025 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.933 -6.058 -15.411 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.936 -7.439 -16.490 1.00 0.00 H new ATOM 609 N ASP A 40 1.137 -8.356 -12.630 1.00 0.00 N ATOM 610 CA ASP A 40 2.376 -8.692 -11.913 1.00 0.00 C ATOM 611 C ASP A 40 3.507 -7.780 -12.382 1.00 0.00 C ATOM 612 O ASP A 40 4.402 -8.188 -13.127 1.00 0.00 O ATOM 613 CB ASP A 40 2.759 -10.166 -12.109 1.00 0.00 C ATOM 614 CG ASP A 40 3.826 -10.649 -11.134 1.00 0.00 C ATOM 615 OD1 ASP A 40 4.843 -9.948 -10.936 1.00 0.00 O ATOM 616 OD2 ASP A 40 3.658 -11.748 -10.569 1.00 0.00 O ATOM 0 H ASP A 40 0.344 -8.148 -12.023 1.00 0.00 H new ATOM 0 HA ASP A 40 2.206 -8.537 -10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.868 -10.783 -11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.118 -10.308 -13.128 1.00 0.00 H new ATOM 621 N TYR A 41 3.426 -6.527 -11.988 1.00 0.00 N ATOM 622 CA TYR A 41 4.386 -5.525 -12.406 1.00 0.00 C ATOM 623 C TYR A 41 5.169 -5.015 -11.208 1.00 0.00 C ATOM 624 O TYR A 41 4.708 -5.121 -10.069 1.00 0.00 O ATOM 625 CB TYR A 41 3.656 -4.370 -13.097 1.00 0.00 C ATOM 626 CG TYR A 41 2.428 -3.907 -12.347 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.522 -2.968 -11.327 1.00 0.00 C ATOM 628 CD2 TYR A 41 1.176 -4.429 -12.644 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.401 -2.560 -10.630 1.00 0.00 C ATOM 630 CE2 TYR A 41 0.055 -4.028 -11.951 1.00 0.00 C ATOM 631 CZ TYR A 41 0.173 -3.096 -10.946 1.00 0.00 C ATOM 632 OH TYR A 41 -0.947 -2.707 -10.250 1.00 0.00 O ATOM 0 H TYR A 41 2.695 -6.174 -11.370 1.00 0.00 H new ATOM 0 HA TYR A 41 5.088 -5.973 -13.110 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.342 -3.531 -13.210 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.365 -4.681 -14.100 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.486 -2.551 -11.075 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.079 -5.162 -13.432 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.488 -1.826 -9.843 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.912 -4.443 -12.195 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.731 -3.180 -10.600 1.00 0.00 H new ATOM 642 N VAL A 42 6.348 -4.479 -11.463 1.00 0.00 N ATOM 643 CA VAL A 42 7.158 -3.891 -10.412 1.00 0.00 C ATOM 644 C VAL A 42 6.753 -2.438 -10.203 1.00 0.00 C ATOM 645 O VAL A 42 6.875 -1.611 -11.110 1.00 0.00 O ATOM 646 CB VAL A 42 8.665 -3.974 -10.736 1.00 0.00 C ATOM 647 CG1 VAL A 42 9.494 -3.343 -9.626 1.00 0.00 C ATOM 648 CG2 VAL A 42 9.083 -5.419 -10.959 1.00 0.00 C ATOM 0 H VAL A 42 6.767 -4.439 -12.392 1.00 0.00 H new ATOM 0 HA VAL A 42 6.983 -4.459 -9.498 1.00 0.00 H new ATOM 0 HB VAL A 42 8.847 -3.415 -11.654 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.552 -3.414 -9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.217 -2.295 -9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.308 -3.868 -8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.148 -5.459 -11.186 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.882 -5.999 -10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.518 -5.837 -11.793 1.00 0.00 H new ATOM 658 N MET A 43 6.239 -2.144 -9.020 1.00 0.00 N ATOM 659 CA MET A 43 5.830 -0.793 -8.681 1.00 0.00 C ATOM 660 C MET A 43 7.040 0.099 -8.498 1.00 0.00 C ATOM 661 O MET A 43 7.725 0.021 -7.479 1.00 0.00 O ATOM 662 CB MET A 43 5.008 -0.778 -7.401 1.00 0.00 C ATOM 663 CG MET A 43 4.483 0.604 -7.069 1.00 0.00 C ATOM 664 SD MET A 43 3.305 1.190 -8.301 1.00 0.00 S ATOM 665 CE MET A 43 1.973 0.008 -8.093 1.00 0.00 C ATOM 0 H MET A 43 6.095 -2.827 -8.276 1.00 0.00 H new ATOM 0 HA MET A 43 5.220 -0.419 -9.503 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.170 -1.468 -7.502 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.620 -1.140 -6.575 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.005 0.585 -6.090 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.317 1.303 -7.003 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.139 0.282 -8.739 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.326 -0.988 -8.360 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.643 0.010 -7.054 1.00 0.00 H new ATOM 675 N THR A 44 7.321 0.937 -9.479 1.00 0.00 N ATOM 676 CA THR A 44 8.478 1.796 -9.387 1.00 0.00 C ATOM 677 C THR A 44 8.131 3.220 -8.955 1.00 0.00 C ATOM 678 O THR A 44 9.028 4.012 -8.665 1.00 0.00 O ATOM 679 CB THR A 44 9.250 1.824 -10.716 1.00 0.00 C ATOM 680 OG1 THR A 44 8.323 1.886 -11.809 1.00 0.00 O ATOM 681 CG2 THR A 44 10.139 0.595 -10.861 1.00 0.00 C ATOM 0 H THR A 44 6.772 1.038 -10.333 1.00 0.00 H new ATOM 0 HA THR A 44 9.111 1.368 -8.610 1.00 0.00 H new ATOM 0 HB THR A 44 9.889 2.707 -10.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.816 1.906 -12.656 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.673 0.642 -11.810 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.857 0.567 -10.042 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.524 -0.304 -10.835 1.00 0.00 H new ATOM 689 N ASP A 45 6.846 3.554 -8.900 1.00 0.00 N ATOM 690 CA ASP A 45 6.445 4.876 -8.426 1.00 0.00 C ATOM 691 C ASP A 45 6.222 4.836 -6.926 1.00 0.00 C ATOM 692 O ASP A 45 5.455 4.015 -6.414 1.00 0.00 O ATOM 693 CB ASP A 45 5.189 5.389 -9.125 1.00 0.00 C ATOM 694 CG ASP A 45 5.054 6.893 -8.983 1.00 0.00 C ATOM 695 OD1 ASP A 45 4.855 7.372 -7.846 1.00 0.00 O ATOM 696 OD2 ASP A 45 5.182 7.604 -10.004 1.00 0.00 O ATOM 0 H ASP A 45 6.077 2.942 -9.172 1.00 0.00 H new ATOM 0 HA ASP A 45 7.253 5.568 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.224 5.123 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.310 4.901 -8.703 1.00 0.00 H new ATOM 701 N ARG A 46 6.868 5.754 -6.230 1.00 0.00 N ATOM 702 CA ARG A 46 6.918 5.706 -4.779 1.00 0.00 C ATOM 703 C ARG A 46 5.614 6.221 -4.189 1.00 0.00 C ATOM 704 O ARG A 46 5.278 5.916 -3.047 1.00 0.00 O ATOM 705 CB ARG A 46 8.140 6.469 -4.213 1.00 0.00 C ATOM 706 CG ARG A 46 9.485 5.878 -4.630 1.00 0.00 C ATOM 707 CD ARG A 46 9.810 6.173 -6.086 1.00 0.00 C ATOM 708 NE ARG A 46 10.464 7.472 -6.242 1.00 0.00 N ATOM 709 CZ ARG A 46 11.786 7.628 -6.325 1.00 0.00 C ATOM 710 NH1 ARG A 46 12.583 6.566 -6.359 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.313 8.839 -6.400 1.00 0.00 N ATOM 0 H ARG A 46 7.365 6.542 -6.645 1.00 0.00 H new ATOM 0 HA ARG A 46 7.041 4.664 -4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.092 7.507 -4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.079 6.477 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.272 6.283 -3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.471 4.799 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.458 5.390 -6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.893 6.154 -6.675 1.00 0.00 H new ATOM 0 HE ARG A 46 9.877 8.305 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.184 5.628 -6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.594 6.689 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.708 9.660 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.325 8.952 -6.463 1.00 0.00 H new ATOM 725 N LEU A 47 4.851 6.973 -4.978 1.00 0.00 N ATOM 726 CA LEU A 47 3.586 7.493 -4.501 1.00 0.00 C ATOM 727 C LEU A 47 2.541 6.393 -4.480 1.00 0.00 C ATOM 728 O LEU A 47 1.546 6.484 -3.763 1.00 0.00 O ATOM 729 CB LEU A 47 3.098 8.675 -5.353 1.00 0.00 C ATOM 730 CG LEU A 47 3.639 10.045 -4.953 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.380 10.294 -3.478 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.116 10.157 -5.290 1.00 0.00 C ATOM 0 H LEU A 47 5.087 7.230 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 47 3.741 7.860 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.369 8.487 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.009 8.707 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 47 3.117 10.815 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.769 11.274 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.307 10.262 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.877 9.525 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.482 11.141 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.671 9.388 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.256 10.022 -6.363 1.00 0.00 H new ATOM 744 N ALA A 48 2.788 5.326 -5.228 1.00 0.00 N ATOM 745 CA ALA A 48 1.821 4.265 -5.331 1.00 0.00 C ATOM 746 C ALA A 48 2.006 3.308 -4.175 1.00 0.00 C ATOM 747 O ALA A 48 1.083 3.074 -3.398 1.00 0.00 O ATOM 748 CB ALA A 48 1.957 3.553 -6.656 1.00 0.00 C ATOM 0 H ALA A 48 3.644 5.181 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 48 0.815 4.683 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.218 2.754 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.793 4.261 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.958 3.129 -6.740 1.00 0.00 H new ATOM 754 N GLY A 49 3.210 2.743 -4.094 1.00 0.00 N ATOM 755 CA GLY A 49 3.629 2.007 -2.905 1.00 0.00 C ATOM 756 C GLY A 49 3.181 2.644 -1.585 1.00 0.00 C ATOM 757 O GLY A 49 2.653 1.947 -0.718 1.00 0.00 O ATOM 0 H GLY A 49 3.909 2.781 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.232 0.993 -2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.716 1.925 -2.906 1.00 0.00 H new ATOM 761 N CYS A 50 3.381 3.957 -1.416 1.00 0.00 N ATOM 762 CA CYS A 50 2.943 4.636 -0.199 1.00 0.00 C ATOM 763 C CYS A 50 1.416 4.631 -0.068 1.00 0.00 C ATOM 764 O CYS A 50 0.872 4.299 0.992 1.00 0.00 O ATOM 765 CB CYS A 50 3.465 6.081 -0.192 1.00 0.00 C ATOM 766 SG CYS A 50 5.151 6.276 0.472 1.00 0.00 S ATOM 0 H CYS A 50 3.838 4.561 -2.100 1.00 0.00 H new ATOM 0 HA CYS A 50 3.352 4.094 0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.443 6.466 -1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.784 6.697 0.396 1.00 0.00 H new ATOM 771 N ALA A 51 0.728 4.945 -1.160 1.00 0.00 N ATOM 772 CA ALA A 51 -0.731 4.999 -1.165 1.00 0.00 C ATOM 773 C ALA A 51 -1.374 3.616 -1.117 1.00 0.00 C ATOM 774 O ALA A 51 -2.600 3.505 -1.061 1.00 0.00 O ATOM 775 CB ALA A 51 -1.227 5.779 -2.369 1.00 0.00 C ATOM 0 H ALA A 51 1.159 5.167 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.033 5.515 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.316 5.810 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.834 6.795 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.887 5.292 -3.283 1.00 0.00 H new ATOM 781 N ILE A 52 -0.558 2.564 -1.141 1.00 0.00 N ATOM 782 CA ILE A 52 -1.064 1.212 -0.926 1.00 0.00 C ATOM 783 C ILE A 52 -1.718 1.127 0.450 1.00 0.00 C ATOM 784 O ILE A 52 -2.734 0.453 0.632 1.00 0.00 O ATOM 785 CB ILE A 52 0.052 0.146 -1.051 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.587 0.096 -2.485 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.445 -1.229 -0.620 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.469 -0.216 -3.528 1.00 0.00 C ATOM 0 H ILE A 52 0.447 2.621 -1.306 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.800 1.002 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 52 0.865 0.433 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.046 1.055 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.373 -0.657 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.362 -1.955 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.771 -1.189 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.282 -1.528 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.010 -0.233 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.913 -1.189 -3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.244 0.550 -3.501 1.00 0.00 H new ATOM 800 N ASN A 53 -1.147 1.841 1.411 1.00 0.00 N ATOM 801 CA ASN A 53 -1.745 1.954 2.731 1.00 0.00 C ATOM 802 C ASN A 53 -1.472 3.342 3.281 1.00 0.00 C ATOM 803 O ASN A 53 -0.514 3.557 4.026 1.00 0.00 O ATOM 804 CB ASN A 53 -1.211 0.890 3.697 1.00 0.00 C ATOM 805 CG ASN A 53 -2.046 0.790 4.967 1.00 0.00 C ATOM 806 OD1 ASN A 53 -2.704 1.746 5.378 1.00 0.00 O ATOM 807 ND2 ASN A 53 -2.017 -0.371 5.604 1.00 0.00 N ATOM 0 H ASN A 53 -0.270 2.350 1.299 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.818 1.791 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.198 -0.078 3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.180 1.126 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.551 -0.494 6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.461 -1.142 5.234 1.00 0.00 H new ATOM 814 N CYS A 54 -2.291 4.290 2.877 1.00 0.00 N ATOM 815 CA CYS A 54 -2.110 5.666 3.293 1.00 0.00 C ATOM 816 C CYS A 54 -3.195 6.083 4.277 1.00 0.00 C ATOM 817 O CYS A 54 -2.910 6.667 5.321 1.00 0.00 O ATOM 818 CB CYS A 54 -2.125 6.584 2.070 1.00 0.00 C ATOM 819 SG CYS A 54 -3.619 6.421 1.039 1.00 0.00 S ATOM 0 H CYS A 54 -3.089 4.134 2.261 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.146 5.752 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.037 7.618 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.249 6.371 1.458 1.00 0.00 H new ATOM 824 N LEU A 55 -4.437 5.739 3.953 1.00 0.00 N ATOM 825 CA LEU A 55 -5.594 6.173 4.727 1.00 0.00 C ATOM 826 C LEU A 55 -5.551 5.599 6.140 1.00 0.00 C ATOM 827 O LEU A 55 -5.746 6.319 7.119 1.00 0.00 O ATOM 828 CB LEU A 55 -6.885 5.761 4.004 1.00 0.00 C ATOM 829 CG LEU A 55 -8.167 6.467 4.462 1.00 0.00 C ATOM 830 CD1 LEU A 55 -9.211 6.418 3.360 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.725 5.834 5.729 1.00 0.00 C ATOM 0 H LEU A 55 -4.669 5.154 3.150 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.572 7.259 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.755 5.944 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.021 4.687 4.129 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.918 7.505 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.118 6.922 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.826 6.917 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.440 5.379 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.633 6.357 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.955 4.785 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.986 5.905 6.527 1.00 0.00 H new ATOM 843 N ALA A 56 -5.229 4.320 6.252 1.00 0.00 N ATOM 844 CA ALA A 56 -5.282 3.646 7.540 1.00 0.00 C ATOM 845 C ALA A 56 -4.033 3.951 8.348 1.00 0.00 C ATOM 846 O ALA A 56 -4.000 3.757 9.560 1.00 0.00 O ATOM 847 CB ALA A 56 -5.440 2.148 7.344 1.00 0.00 C ATOM 0 H ALA A 56 -4.931 3.732 5.474 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.146 4.015 8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.478 1.656 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.363 1.948 6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.593 1.764 6.776 1.00 0.00 H new ATOM 853 N THR A 57 -3.022 4.462 7.670 1.00 0.00 N ATOM 854 CA THR A 57 -1.806 4.889 8.330 1.00 0.00 C ATOM 855 C THR A 57 -1.985 6.279 8.939 1.00 0.00 C ATOM 856 O THR A 57 -1.404 6.599 9.978 1.00 0.00 O ATOM 857 CB THR A 57 -0.621 4.892 7.349 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.497 3.605 6.734 1.00 0.00 O ATOM 859 CG2 THR A 57 0.662 5.236 8.068 1.00 0.00 C ATOM 0 H THR A 57 -3.021 4.591 6.658 1.00 0.00 H new ATOM 0 HA THR A 57 -1.591 4.180 9.129 1.00 0.00 H new ATOM 0 HB THR A 57 -0.806 5.645 6.583 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.404 3.713 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.489 5.233 7.358 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.573 6.225 8.518 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.851 4.498 8.848 1.00 0.00 H new ATOM 867 N LYS A 58 -2.805 7.102 8.293 1.00 0.00 N ATOM 868 CA LYS A 58 -3.098 8.434 8.804 1.00 0.00 C ATOM 869 C LYS A 58 -4.182 8.378 9.875 1.00 0.00 C ATOM 870 O LYS A 58 -4.370 9.339 10.620 1.00 0.00 O ATOM 871 CB LYS A 58 -3.526 9.375 7.671 1.00 0.00 C ATOM 872 CG LYS A 58 -2.572 9.429 6.474 1.00 0.00 C ATOM 873 CD LYS A 58 -1.234 10.100 6.784 1.00 0.00 C ATOM 874 CE LYS A 58 -1.406 11.356 7.625 1.00 0.00 C ATOM 875 NZ LYS A 58 -0.107 12.030 7.881 1.00 0.00 N ATOM 0 H LYS A 58 -3.276 6.870 7.418 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.185 8.825 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.510 9.068 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.632 10.381 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.386 8.414 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.057 9.965 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.589 9.397 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.732 10.355 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.079 12.045 7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.874 11.097 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.231 12.756 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.591 11.329 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.230 12.478 7.005 1.00 0.00 H new ATOM 889 N LEU A 59 -4.914 7.271 9.938 1.00 0.00 N ATOM 890 CA LEU A 59 -5.833 7.053 11.042 1.00 0.00 C ATOM 891 C LEU A 59 -5.051 6.879 12.340 1.00 0.00 C ATOM 892 O LEU A 59 -5.098 7.744 13.218 1.00 0.00 O ATOM 893 CB LEU A 59 -6.709 5.831 10.785 1.00 0.00 C ATOM 894 CG LEU A 59 -7.598 5.907 9.540 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.723 4.911 9.665 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.154 7.311 9.335 1.00 0.00 C ATOM 0 H LEU A 59 -4.888 6.522 9.246 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.483 7.924 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.065 4.956 10.697 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.346 5.672 11.655 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.990 5.665 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.356 4.964 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.311 3.906 9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.316 5.142 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.780 7.328 8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.750 7.596 10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.330 8.014 9.214 1.00 0.00 H new ATOM 908 N ASP A 60 -4.304 5.783 12.437 1.00 0.00 N ATOM 909 CA ASP A 60 -3.460 5.516 13.601 1.00 0.00 C ATOM 910 C ASP A 60 -2.699 4.217 13.394 1.00 0.00 C ATOM 911 O ASP A 60 -3.299 3.187 13.089 1.00 0.00 O ATOM 912 CB ASP A 60 -4.286 5.426 14.891 1.00 0.00 C ATOM 913 CG ASP A 60 -3.434 5.533 16.148 1.00 0.00 C ATOM 914 OD1 ASP A 60 -2.189 5.450 16.055 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.010 5.717 17.241 1.00 0.00 O ATOM 0 H ASP A 60 -4.265 5.060 11.719 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.762 6.346 13.705 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.032 6.221 14.895 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.828 4.480 14.905 1.00 0.00 H new ATOM 920 N VAL A 61 -1.388 4.267 13.561 1.00 0.00 N ATOM 921 CA VAL A 61 -0.549 3.088 13.393 1.00 0.00 C ATOM 922 C VAL A 61 0.885 3.406 13.828 1.00 0.00 C ATOM 923 O VAL A 61 1.863 2.854 13.317 1.00 0.00 O ATOM 924 CB VAL A 61 -0.573 2.611 11.917 1.00 0.00 C ATOM 925 CG1 VAL A 61 0.121 3.608 11.004 1.00 0.00 C ATOM 926 CG2 VAL A 61 0.028 1.221 11.773 1.00 0.00 C ATOM 0 H VAL A 61 -0.878 5.114 13.814 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.939 2.285 14.018 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.617 2.551 11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.087 3.245 9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.385 4.571 11.065 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.160 3.724 11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.004 0.917 10.727 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.063 1.235 12.115 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.543 0.514 12.374 1.00 0.00 H new ATOM 936 N VAL A 62 1.013 4.270 14.817 1.00 0.00 N ATOM 937 CA VAL A 62 2.328 4.726 15.228 1.00 0.00 C ATOM 938 C VAL A 62 2.787 4.036 16.514 1.00 0.00 C ATOM 939 O VAL A 62 2.105 4.076 17.537 1.00 0.00 O ATOM 940 CB VAL A 62 2.375 6.266 15.382 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.997 6.940 14.074 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.470 6.751 16.508 1.00 0.00 C ATOM 0 H VAL A 62 0.235 4.666 15.345 1.00 0.00 H new ATOM 0 HA VAL A 62 3.023 4.449 14.435 1.00 0.00 H new ATOM 0 HB VAL A 62 3.398 6.539 15.642 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.035 8.022 14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.697 6.640 13.294 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.988 6.642 13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.532 7.837 16.583 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.441 6.460 16.298 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.789 6.304 17.449 1.00 0.00 H new ATOM 952 N ASP A 63 3.921 3.343 16.435 1.00 0.00 N ATOM 953 CA ASP A 63 4.536 2.746 17.615 1.00 0.00 C ATOM 954 C ASP A 63 5.141 3.816 18.534 1.00 0.00 C ATOM 955 O ASP A 63 4.775 3.902 19.703 1.00 0.00 O ATOM 956 CB ASP A 63 5.622 1.745 17.205 1.00 0.00 C ATOM 957 CG ASP A 63 5.734 0.576 18.158 1.00 0.00 C ATOM 958 OD1 ASP A 63 5.730 0.792 19.383 1.00 0.00 O ATOM 959 OD2 ASP A 63 5.857 -0.568 17.679 1.00 0.00 O ATOM 0 H ASP A 63 4.431 3.182 15.566 1.00 0.00 H new ATOM 0 HA ASP A 63 3.753 2.224 18.165 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.406 1.372 16.204 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.582 2.259 17.153 1.00 0.00 H new ATOM 964 N PRO A 64 6.069 4.665 18.025 1.00 0.00 N ATOM 965 CA PRO A 64 6.843 5.585 18.841 1.00 0.00 C ATOM 966 C PRO A 64 6.313 7.023 18.801 1.00 0.00 C ATOM 967 O PRO A 64 5.105 7.257 18.777 1.00 0.00 O ATOM 968 CB PRO A 64 8.223 5.504 18.163 1.00 0.00 C ATOM 969 CG PRO A 64 7.975 4.926 16.791 1.00 0.00 C ATOM 970 CD PRO A 64 6.482 4.824 16.634 1.00 0.00 C ATOM 0 HA PRO A 64 6.825 5.325 19.899 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.683 6.490 18.094 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.903 4.874 18.736 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.404 5.564 16.018 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.443 3.947 16.692 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.053 5.715 16.175 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.189 3.975 16.017 1.00 0.00 H new ATOM 978 N ASP A 65 7.243 7.976 18.773 1.00 0.00 N ATOM 979 CA ASP A 65 6.922 9.405 18.830 1.00 0.00 C ATOM 980 C ASP A 65 6.368 9.933 17.513 1.00 0.00 C ATOM 981 O ASP A 65 6.144 11.133 17.361 1.00 0.00 O ATOM 982 CB ASP A 65 8.178 10.200 19.195 1.00 0.00 C ATOM 983 CG ASP A 65 8.611 9.977 20.624 1.00 0.00 C ATOM 984 OD1 ASP A 65 7.951 10.502 21.545 1.00 0.00 O ATOM 985 OD2 ASP A 65 9.625 9.282 20.836 1.00 0.00 O ATOM 0 H ASP A 65 8.242 7.781 18.710 1.00 0.00 H new ATOM 0 HA ASP A 65 6.150 9.529 19.589 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.990 9.917 18.525 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.990 11.262 19.038 1.00 0.00 H new ATOM 990 N GLY A 66 6.151 9.040 16.568 1.00 0.00 N ATOM 991 CA GLY A 66 5.669 9.443 15.265 1.00 0.00 C ATOM 992 C GLY A 66 6.352 8.666 14.172 1.00 0.00 C ATOM 993 O GLY A 66 5.792 7.724 13.610 1.00 0.00 O ATOM 0 H GLY A 66 6.300 8.037 16.678 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.592 9.287 15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.845 10.509 15.122 1.00 0.00 H new ATOM 997 N ASN A 67 7.593 9.039 13.919 1.00 0.00 N ATOM 998 CA ASN A 67 8.426 8.392 12.918 1.00 0.00 C ATOM 999 C ASN A 67 8.800 6.981 13.352 1.00 0.00 C ATOM 1000 O ASN A 67 8.773 6.668 14.540 1.00 0.00 O ATOM 1001 CB ASN A 67 9.697 9.219 12.708 1.00 0.00 C ATOM 1002 CG ASN A 67 10.342 9.621 14.026 1.00 0.00 C ATOM 1003 OD1 ASN A 67 11.223 8.782 14.548 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 10.040 10.679 14.580 1.00 0.00 N flip ATOM 0 H ASN A 67 8.057 9.806 14.406 1.00 0.00 H new ATOM 0 HA ASN A 67 7.865 8.327 11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.410 8.644 12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.456 10.114 12.135 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.357 11.303 14.150 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.473 10.931 15.469 1.00 0.00 H new ATOM 1011 N LEU A 68 9.128 6.139 12.373 1.00 0.00 N ATOM 1012 CA LEU A 68 9.620 4.780 12.613 1.00 0.00 C ATOM 1013 C LEU A 68 8.536 3.853 13.158 1.00 0.00 C ATOM 1014 O LEU A 68 8.836 2.891 13.869 1.00 0.00 O ATOM 1015 CB LEU A 68 10.827 4.783 13.567 1.00 0.00 C ATOM 1016 CG LEU A 68 12.196 5.002 12.914 1.00 0.00 C ATOM 1017 CD1 LEU A 68 12.436 3.966 11.830 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.315 6.406 12.347 1.00 0.00 C ATOM 0 H LEU A 68 9.060 6.381 11.384 1.00 0.00 H new ATOM 0 HA LEU A 68 9.932 4.395 11.642 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.673 5.562 14.314 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.848 3.832 14.099 1.00 0.00 H new ATOM 0 HG LEU A 68 12.960 4.887 13.683 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.412 4.134 11.375 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.407 2.968 12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.661 4.051 11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.297 6.532 11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.542 6.561 11.594 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.192 7.134 13.149 1.00 0.00 H new ATOM 1030 N HIS A 69 7.279 4.106 12.811 1.00 0.00 N ATOM 1031 CA HIS A 69 6.206 3.196 13.193 1.00 0.00 C ATOM 1032 C HIS A 69 6.176 1.958 12.286 1.00 0.00 C ATOM 1033 O HIS A 69 5.243 1.755 11.518 1.00 0.00 O ATOM 1034 CB HIS A 69 4.843 3.913 13.195 1.00 0.00 C ATOM 1035 CG HIS A 69 4.514 4.703 11.954 1.00 0.00 C ATOM 1036 ND1 HIS A 69 4.563 6.080 11.908 1.00 0.00 N ATOM 1037 CD2 HIS A 69 4.093 4.310 10.725 1.00 0.00 C ATOM 1038 CE1 HIS A 69 4.188 6.494 10.714 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.898 5.443 9.977 1.00 0.00 N ATOM 0 H HIS A 69 6.981 4.920 12.274 1.00 0.00 H new ATOM 0 HA HIS A 69 6.407 2.858 14.210 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.062 3.168 13.346 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.810 4.587 14.051 1.00 0.00 H new ATOM 0 HD1 HIS A 69 4.846 6.685 12.679 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.940 3.293 10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.129 7.524 10.394 1.00 0.00 H new ATOM 1048 N HIS A 70 7.207 1.128 12.396 1.00 0.00 N ATOM 1049 CA HIS A 70 7.289 -0.099 11.602 1.00 0.00 C ATOM 1050 C HIS A 70 6.562 -1.249 12.301 1.00 0.00 C ATOM 1051 O HIS A 70 5.779 -1.977 11.682 1.00 0.00 O ATOM 1052 CB HIS A 70 8.755 -0.482 11.309 1.00 0.00 C ATOM 1053 CG HIS A 70 9.562 -0.864 12.515 1.00 0.00 C ATOM 1054 ND1 HIS A 70 10.042 -0.117 13.533 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 9.963 -2.155 12.770 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 10.719 -0.959 14.380 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 10.656 -2.185 13.892 1.00 0.00 N flip ATOM 0 H HIS A 70 7.997 1.279 13.024 1.00 0.00 H new ATOM 0 HA HIS A 70 6.796 0.092 10.649 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.764 -1.315 10.605 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.243 0.358 10.815 1.00 0.00 H new ATOM 0 HD1 HIS A 70 9.923 0.889 13.651 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.744 -3.011 12.148 1.00 0.00 H new ATOM 0 HE1 HIS A 70 11.219 -0.668 15.292 1.00 0.00 H new ATOM 1066 N GLY A 71 6.811 -1.388 13.602 1.00 0.00 N ATOM 1067 CA GLY A 71 6.247 -2.483 14.367 1.00 0.00 C ATOM 1068 C GLY A 71 4.735 -2.475 14.352 1.00 0.00 C ATOM 1069 O GLY A 71 4.104 -3.462 13.965 1.00 0.00 O ATOM 0 H GLY A 71 7.400 -0.754 14.142 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.607 -3.429 13.963 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.598 -2.422 15.397 1.00 0.00 H new ATOM 1073 N ASN A 72 4.160 -1.348 14.762 1.00 0.00 N ATOM 1074 CA ASN A 72 2.707 -1.191 14.805 1.00 0.00 C ATOM 1075 C ASN A 72 2.079 -1.370 13.411 1.00 0.00 C ATOM 1076 O ASN A 72 0.944 -1.816 13.299 1.00 0.00 O ATOM 1077 CB ASN A 72 2.340 0.179 15.406 1.00 0.00 C ATOM 1078 CG ASN A 72 0.928 0.228 15.973 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.021 -0.449 15.496 1.00 0.00 O ATOM 1080 ND2 ASN A 72 0.739 1.035 17.007 1.00 0.00 N ATOM 0 H ASN A 72 4.679 -0.526 15.071 1.00 0.00 H new ATOM 0 HA ASN A 72 2.299 -1.973 15.445 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.050 0.424 16.196 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.442 0.945 14.637 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.184 1.109 17.434 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.517 1.582 17.376 1.00 0.00 H new ATOM 1087 N ALA A 73 2.826 -1.059 12.347 1.00 0.00 N ATOM 1088 CA ALA A 73 2.317 -1.210 10.987 1.00 0.00 C ATOM 1089 C ALA A 73 2.164 -2.681 10.622 1.00 0.00 C ATOM 1090 O ALA A 73 1.226 -3.075 9.922 1.00 0.00 O ATOM 1091 CB ALA A 73 3.234 -0.510 9.993 1.00 0.00 C ATOM 0 H ALA A 73 3.780 -0.703 12.404 1.00 0.00 H new ATOM 0 HA ALA A 73 1.333 -0.744 10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.839 -0.633 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.289 0.552 10.234 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.231 -0.947 10.048 1.00 0.00 H new ATOM 1097 N LYS A 74 3.070 -3.501 11.127 1.00 0.00 N ATOM 1098 CA LYS A 74 3.025 -4.929 10.852 1.00 0.00 C ATOM 1099 C LYS A 74 1.967 -5.577 11.735 1.00 0.00 C ATOM 1100 O LYS A 74 1.242 -6.479 11.314 1.00 0.00 O ATOM 1101 CB LYS A 74 4.378 -5.576 11.113 1.00 0.00 C ATOM 1102 CG LYS A 74 5.539 -4.885 10.418 1.00 0.00 C ATOM 1103 CD LYS A 74 5.300 -4.663 8.930 1.00 0.00 C ATOM 1104 CE LYS A 74 6.507 -3.998 8.281 1.00 0.00 C ATOM 1105 NZ LYS A 74 6.296 -3.729 6.833 1.00 0.00 N ATOM 0 H LYS A 74 3.841 -3.206 11.726 1.00 0.00 H new ATOM 0 HA LYS A 74 2.774 -5.075 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.564 -5.584 12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.341 -6.616 10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.721 -3.923 10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.441 -5.483 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.100 -5.617 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.416 -4.041 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.722 -3.061 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.381 -4.637 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.212 -3.736 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.681 -4.464 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.847 -2.798 6.715 1.00 0.00 H new ATOM 1119 N ASP A 75 1.876 -5.081 12.962 1.00 0.00 N ATOM 1120 CA ASP A 75 0.857 -5.520 13.908 1.00 0.00 C ATOM 1121 C ASP A 75 -0.540 -5.146 13.408 1.00 0.00 C ATOM 1122 O ASP A 75 -1.488 -5.928 13.524 1.00 0.00 O ATOM 1123 CB ASP A 75 1.123 -4.893 15.280 1.00 0.00 C ATOM 1124 CG ASP A 75 0.041 -5.209 16.286 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.012 -6.346 16.802 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -0.794 -4.321 16.561 1.00 0.00 O ATOM 0 H ASP A 75 2.504 -4.366 13.329 1.00 0.00 H new ATOM 0 HA ASP A 75 0.903 -6.605 13.999 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.081 -5.250 15.659 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.207 -3.812 15.171 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.649 -3.950 12.837 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.900 -3.473 12.254 1.00 0.00 C ATOM 1133 C PHE A 76 -2.313 -4.372 11.094 1.00 0.00 C ATOM 1134 O PHE A 76 -3.500 -4.613 10.873 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.736 -2.024 11.778 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.027 -1.338 11.415 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -3.790 -0.711 12.386 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.468 -1.315 10.103 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -4.972 -0.075 12.055 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.648 -0.680 9.765 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.401 -0.059 10.742 1.00 0.00 C ATOM 0 H PHE A 76 0.123 -3.287 12.765 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.682 -3.505 13.013 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.242 -1.451 12.562 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.076 -2.012 10.911 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.458 -0.719 13.414 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.883 -1.799 9.335 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.559 0.409 12.822 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.981 -0.669 8.738 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.323 0.438 10.480 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.320 -4.886 10.373 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.569 -5.802 9.265 1.00 0.00 C ATOM 1153 C ALA A 77 -2.066 -7.152 9.773 1.00 0.00 C ATOM 1154 O ALA A 77 -2.848 -7.827 9.105 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.299 -5.994 8.457 1.00 0.00 C ATOM 0 H ALA A 77 -0.334 -4.683 10.537 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.342 -5.367 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.493 -6.679 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.029 -5.033 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.480 -6.408 9.097 1.00 0.00 H new ATOM 1161 N MET A 78 -1.602 -7.540 10.953 1.00 0.00 N ATOM 1162 CA MET A 78 -2.016 -8.804 11.555 1.00 0.00 C ATOM 1163 C MET A 78 -3.465 -8.760 12.021 1.00 0.00 C ATOM 1164 O MET A 78 -4.170 -9.767 11.961 1.00 0.00 O ATOM 1165 CB MET A 78 -1.113 -9.178 12.732 1.00 0.00 C ATOM 1166 CG MET A 78 0.310 -9.519 12.332 1.00 0.00 C ATOM 1167 SD MET A 78 1.316 -10.027 13.739 1.00 0.00 S ATOM 1168 CE MET A 78 0.445 -11.505 14.261 1.00 0.00 C ATOM 0 H MET A 78 -0.941 -7.001 11.512 1.00 0.00 H new ATOM 0 HA MET A 78 -1.925 -9.565 10.779 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.092 -8.349 13.439 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.547 -10.031 13.254 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.295 -10.319 11.592 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.768 -8.652 11.855 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.118 -12.140 14.837 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.408 -11.225 14.880 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.094 -12.049 13.384 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.918 -7.610 12.506 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.304 -7.490 12.935 1.00 0.00 C ATOM 1180 C LYS A 79 -6.201 -7.033 11.797 1.00 0.00 C ATOM 1181 O LYS A 79 -7.423 -7.136 11.887 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.442 -6.553 14.139 1.00 0.00 C ATOM 1183 CG LYS A 79 -5.051 -7.210 15.450 1.00 0.00 C ATOM 1184 CD LYS A 79 -5.303 -6.289 16.637 1.00 0.00 C ATOM 1185 CE LYS A 79 -4.271 -5.179 16.717 1.00 0.00 C ATOM 1186 NZ LYS A 79 -2.939 -5.705 17.100 1.00 0.00 N ATOM 0 H LYS A 79 -3.358 -6.764 12.610 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.629 -8.484 13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.819 -5.673 13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.473 -6.206 14.206 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.617 -8.133 15.578 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.997 -7.485 15.420 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.299 -5.854 16.555 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.284 -6.870 17.559 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.201 -4.675 15.753 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.592 -4.433 17.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.246 -4.930 17.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.990 -6.119 18.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.646 -6.435 16.420 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.607 -6.528 10.721 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.388 -6.075 9.578 1.00 0.00 C ATOM 1202 C HIS A 80 -5.701 -6.468 8.278 1.00 0.00 C ATOM 1203 O HIS A 80 -4.828 -5.752 7.790 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.595 -4.553 9.614 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.147 -4.042 10.907 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.493 -3.959 11.179 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.514 -3.610 12.021 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.661 -3.496 12.402 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.474 -3.278 12.939 1.00 0.00 N ATOM 0 H HIS A 80 -4.598 -6.423 10.617 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.364 -6.557 9.631 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.641 -4.063 9.420 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.270 -4.270 8.806 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.445 -3.540 12.161 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.612 -3.324 12.885 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.302 -2.922 13.879 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.072 -7.621 7.743 1.00 0.00 N ATOM 1219 CA GLY A 81 -5.553 -8.043 6.459 1.00 0.00 C ATOM 1220 C GLY A 81 -5.018 -9.460 6.477 1.00 0.00 C ATOM 1221 O GLY A 81 -5.652 -10.380 5.958 1.00 0.00 O ATOM 0 H GLY A 81 -6.725 -8.274 8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.342 -7.967 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.758 -7.363 6.153 1.00 0.00 H new ATOM 1225 N ALA A 82 -3.863 -9.647 7.094 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.200 -10.941 7.089 1.00 0.00 C ATOM 1227 C ALA A 82 -3.355 -11.643 8.424 1.00 0.00 C ATOM 1228 O ALA A 82 -3.370 -11.007 9.474 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.724 -10.786 6.766 1.00 0.00 C ATOM 0 H ALA A 82 -3.364 -8.919 7.605 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.675 -11.548 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.246 -11.766 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.613 -10.329 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.252 -10.151 7.516 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.468 -12.956 8.378 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.518 -13.747 9.596 1.00 0.00 C ATOM 1237 C ASP A 83 -2.125 -14.102 10.037 1.00 0.00 C ATOM 1238 O ASP A 83 -1.142 -13.774 9.363 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.348 -15.013 9.451 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.605 -16.158 8.808 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.646 -16.278 7.568 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.990 -16.954 9.549 1.00 0.00 O ATOM 0 H ASP A 83 -3.527 -13.497 7.516 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.007 -13.130 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.694 -15.324 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.235 -14.789 8.858 1.00 0.00 H new ATOM 1247 N GLU A 84 -2.054 -14.772 11.170 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.804 -15.070 11.806 1.00 0.00 C ATOM 1249 C GLU A 84 0.174 -15.771 10.866 1.00 0.00 C ATOM 1250 O GLU A 84 1.366 -15.461 10.864 1.00 0.00 O ATOM 1251 CB GLU A 84 -1.050 -15.943 13.035 1.00 0.00 C ATOM 1252 CG GLU A 84 -1.021 -15.193 14.351 1.00 0.00 C ATOM 1253 CD GLU A 84 0.174 -15.590 15.188 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.312 -15.255 14.800 1.00 0.00 O ATOM 1255 OE2 GLU A 84 -0.017 -16.272 16.216 1.00 0.00 O ATOM 0 H GLU A 84 -2.870 -15.123 11.671 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.352 -14.122 12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.019 -16.432 12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.297 -16.731 13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.992 -14.120 14.159 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.938 -15.393 14.906 1.00 0.00 H new ATOM 1262 N THR A 85 -0.324 -16.695 10.058 1.00 0.00 N ATOM 1263 CA THR A 85 0.547 -17.457 9.184 1.00 0.00 C ATOM 1264 C THR A 85 1.068 -16.591 8.032 1.00 0.00 C ATOM 1265 O THR A 85 2.214 -16.736 7.622 1.00 0.00 O ATOM 1266 CB THR A 85 -0.139 -18.727 8.626 1.00 0.00 C ATOM 1267 OG1 THR A 85 0.833 -19.562 7.984 1.00 0.00 O ATOM 1268 CG2 THR A 85 -1.241 -18.386 7.640 1.00 0.00 C ATOM 0 H THR A 85 -1.314 -16.931 9.991 1.00 0.00 H new ATOM 0 HA THR A 85 1.390 -17.780 9.794 1.00 0.00 H new ATOM 0 HB THR A 85 -0.590 -19.255 9.467 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.394 -20.365 7.634 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.697 -19.305 7.272 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.998 -17.779 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.821 -17.829 6.803 1.00 0.00 H new ATOM 1276 N MET A 86 0.259 -15.641 7.551 1.00 0.00 N ATOM 1277 CA MET A 86 0.621 -14.877 6.366 1.00 0.00 C ATOM 1278 C MET A 86 1.567 -13.765 6.742 1.00 0.00 C ATOM 1279 O MET A 86 2.523 -13.478 6.023 1.00 0.00 O ATOM 1280 CB MET A 86 -0.615 -14.311 5.671 1.00 0.00 C ATOM 1281 CG MET A 86 -1.658 -15.363 5.371 1.00 0.00 C ATOM 1282 SD MET A 86 -3.028 -14.724 4.391 1.00 0.00 S ATOM 1283 CE MET A 86 -2.192 -14.368 2.849 1.00 0.00 C ATOM 0 H MET A 86 -0.640 -15.389 7.963 1.00 0.00 H new ATOM 0 HA MET A 86 1.117 -15.549 5.666 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.057 -13.538 6.300 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.314 -13.830 4.740 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.190 -16.191 4.838 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.043 -15.765 6.308 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.885 -13.881 2.163 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.345 -13.708 3.038 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.835 -15.298 2.405 1.00 0.00 H new ATOM 1293 N ALA A 87 1.305 -13.155 7.885 1.00 0.00 N ATOM 1294 CA ALA A 87 2.207 -12.171 8.427 1.00 0.00 C ATOM 1295 C ALA A 87 3.557 -12.824 8.671 1.00 0.00 C ATOM 1296 O ALA A 87 4.593 -12.241 8.388 1.00 0.00 O ATOM 1297 CB ALA A 87 1.641 -11.593 9.711 1.00 0.00 C ATOM 0 H ALA A 87 0.474 -13.328 8.450 1.00 0.00 H new ATOM 0 HA ALA A 87 2.331 -11.350 7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.331 -10.851 10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.680 -11.121 9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.504 -12.392 10.440 1.00 0.00 H new ATOM 1303 N GLN A 88 3.525 -14.074 9.121 1.00 0.00 N ATOM 1304 CA GLN A 88 4.750 -14.807 9.446 1.00 0.00 C ATOM 1305 C GLN A 88 5.506 -15.227 8.189 1.00 0.00 C ATOM 1306 O GLN A 88 6.720 -15.430 8.229 1.00 0.00 O ATOM 1307 CB GLN A 88 4.417 -16.022 10.305 1.00 0.00 C ATOM 1308 CG GLN A 88 4.779 -15.848 11.775 1.00 0.00 C ATOM 1309 CD GLN A 88 4.455 -14.461 12.308 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.288 -13.557 12.256 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.254 -14.285 12.834 1.00 0.00 N ATOM 0 H GLN A 88 2.666 -14.603 9.270 1.00 0.00 H new ATOM 0 HA GLN A 88 5.403 -14.140 10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.350 -16.232 10.225 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.944 -16.891 9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.244 -16.592 12.365 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.844 -16.042 11.907 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.590 -15.059 12.859 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.992 -13.376 13.214 1.00 0.00 H new ATOM 1320 N GLN A 89 4.799 -15.362 7.074 1.00 0.00 N ATOM 1321 CA GLN A 89 5.467 -15.629 5.803 1.00 0.00 C ATOM 1322 C GLN A 89 6.035 -14.332 5.232 1.00 0.00 C ATOM 1323 O GLN A 89 7.018 -14.347 4.494 1.00 0.00 O ATOM 1324 CB GLN A 89 4.523 -16.283 4.773 1.00 0.00 C ATOM 1325 CG GLN A 89 3.759 -17.490 5.294 1.00 0.00 C ATOM 1326 CD GLN A 89 4.659 -18.589 5.815 1.00 0.00 C ATOM 1327 OE1 GLN A 89 5.772 -18.789 5.323 1.00 0.00 O ATOM 1328 NE2 GLN A 89 4.185 -19.309 6.819 1.00 0.00 N ATOM 0 H GLN A 89 3.783 -15.293 7.021 1.00 0.00 H new ATOM 0 HA GLN A 89 6.275 -16.334 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.807 -15.536 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.108 -16.586 3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.089 -17.170 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.135 -17.889 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.259 -19.110 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.746 -20.063 7.215 1.00 0.00 H new ATOM 1337 N LEU A 90 5.428 -13.209 5.607 1.00 0.00 N ATOM 1338 CA LEU A 90 5.793 -11.917 5.049 1.00 0.00 C ATOM 1339 C LEU A 90 6.936 -11.282 5.842 1.00 0.00 C ATOM 1340 O LEU A 90 7.891 -10.767 5.264 1.00 0.00 O ATOM 1341 CB LEU A 90 4.575 -10.984 5.043 1.00 0.00 C ATOM 1342 CG LEU A 90 4.768 -9.633 4.346 1.00 0.00 C ATOM 1343 CD1 LEU A 90 4.801 -9.795 2.832 1.00 0.00 C ATOM 1344 CD2 LEU A 90 3.663 -8.669 4.754 1.00 0.00 C ATOM 0 H LEU A 90 4.679 -13.172 6.298 1.00 0.00 H new ATOM 0 HA LEU A 90 6.132 -12.071 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.746 -11.504 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.279 -10.799 6.076 1.00 0.00 H new ATOM 0 HG LEU A 90 5.728 -9.223 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.939 -8.820 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.626 -10.451 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.861 -10.230 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.811 -7.713 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.696 -9.083 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.690 -8.520 5.833 1.00 0.00 H new ATOM 1356 N VAL A 91 6.835 -11.346 7.169 1.00 0.00 N ATOM 1357 CA VAL A 91 7.802 -10.716 8.072 1.00 0.00 C ATOM 1358 C VAL A 91 9.225 -11.208 7.826 1.00 0.00 C ATOM 1359 O VAL A 91 10.176 -10.435 7.927 1.00 0.00 O ATOM 1360 CB VAL A 91 7.436 -10.973 9.547 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.194 -10.190 9.943 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.242 -12.453 9.780 1.00 0.00 C ATOM 0 H VAL A 91 6.081 -11.836 7.650 1.00 0.00 H new ATOM 0 HA VAL A 91 7.761 -9.647 7.863 1.00 0.00 H new ATOM 0 HB VAL A 91 8.257 -10.627 10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.957 -10.388 10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.378 -9.124 9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.356 -10.495 9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.984 -12.626 10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.438 -12.819 9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.164 -12.983 9.542 1.00 0.00 H new ATOM 1372 N ASP A 92 9.361 -12.482 7.492 1.00 0.00 N ATOM 1373 CA ASP A 92 10.667 -13.066 7.244 1.00 0.00 C ATOM 1374 C ASP A 92 11.323 -12.397 6.037 1.00 0.00 C ATOM 1375 O ASP A 92 12.497 -12.022 6.080 1.00 0.00 O ATOM 1376 CB ASP A 92 10.538 -14.579 7.049 1.00 0.00 C ATOM 1377 CG ASP A 92 11.795 -15.203 6.474 1.00 0.00 C ATOM 1378 OD1 ASP A 92 12.815 -15.263 7.193 1.00 0.00 O ATOM 1379 OD2 ASP A 92 11.765 -15.648 5.309 1.00 0.00 O ATOM 0 H ASP A 92 8.581 -13.131 7.387 1.00 0.00 H new ATOM 0 HA ASP A 92 11.309 -12.894 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.310 -15.047 8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.698 -14.786 6.386 1.00 0.00 H new ATOM 1384 N ILE A 93 10.542 -12.202 4.983 1.00 0.00 N ATOM 1385 CA ILE A 93 11.015 -11.480 3.813 1.00 0.00 C ATOM 1386 C ILE A 93 11.225 -10.013 4.150 1.00 0.00 C ATOM 1387 O ILE A 93 12.228 -9.418 3.751 1.00 0.00 O ATOM 1388 CB ILE A 93 10.036 -11.603 2.618 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.288 -12.890 1.836 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.150 -10.404 1.692 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.032 -14.159 2.618 1.00 0.00 C ATOM 0 H ILE A 93 9.580 -12.534 4.916 1.00 0.00 H new ATOM 0 HA ILE A 93 11.963 -11.930 3.518 1.00 0.00 H new ATOM 0 HB ILE A 93 9.025 -11.633 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.655 -12.891 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.322 -12.894 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.452 -10.517 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.914 -9.494 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.167 -10.339 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.236 -15.023 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.684 -14.186 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.991 -14.183 2.941 1.00 0.00 H new ATOM 1403 N ILE A 94 10.282 -9.444 4.899 1.00 0.00 N ATOM 1404 CA ILE A 94 10.357 -8.043 5.284 1.00 0.00 C ATOM 1405 C ILE A 94 11.673 -7.758 5.976 1.00 0.00 C ATOM 1406 O ILE A 94 12.388 -6.844 5.603 1.00 0.00 O ATOM 1407 CB ILE A 94 9.201 -7.640 6.225 1.00 0.00 C ATOM 1408 CG1 ILE A 94 7.866 -7.712 5.488 1.00 0.00 C ATOM 1409 CG2 ILE A 94 9.426 -6.238 6.785 1.00 0.00 C ATOM 1410 CD1 ILE A 94 6.688 -7.308 6.342 1.00 0.00 C ATOM 0 H ILE A 94 9.459 -9.934 5.249 1.00 0.00 H new ATOM 0 HA ILE A 94 10.278 -7.457 4.369 1.00 0.00 H new ATOM 0 HB ILE A 94 9.176 -8.342 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.908 -7.066 4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.712 -8.729 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.600 -5.973 7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.361 -6.216 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.478 -5.522 5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.772 -7.382 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.621 -7.969 7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.820 -6.280 6.681 1.00 0.00 H new ATOM 1422 N HIS A 95 12.016 -8.584 6.946 1.00 0.00 N ATOM 1423 CA HIS A 95 13.217 -8.341 7.732 1.00 0.00 C ATOM 1424 C HIS A 95 14.462 -8.593 6.894 1.00 0.00 C ATOM 1425 O HIS A 95 15.442 -7.851 6.987 1.00 0.00 O ATOM 1426 CB HIS A 95 13.253 -9.223 8.987 1.00 0.00 C ATOM 1427 CG HIS A 95 12.095 -9.020 9.917 1.00 0.00 C ATOM 1428 ND1 HIS A 95 11.813 -9.881 10.953 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.145 -8.055 9.967 1.00 0.00 C ATOM 1430 CE1 HIS A 95 10.744 -9.461 11.597 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.318 -8.356 11.020 1.00 0.00 N ATOM 0 H HIS A 95 11.491 -9.418 7.208 1.00 0.00 H new ATOM 0 HA HIS A 95 13.198 -7.297 8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.279 -10.269 8.681 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.178 -9.026 9.529 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.055 -7.208 9.303 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.293 -9.941 12.453 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.505 -7.812 11.309 1.00 0.00 H new ATOM 1440 N GLY A 96 14.388 -9.577 6.009 1.00 0.00 N ATOM 1441 CA GLY A 96 15.566 -9.993 5.287 1.00 0.00 C ATOM 1442 C GLY A 96 15.845 -9.115 4.097 1.00 0.00 C ATOM 1443 O GLY A 96 16.918 -8.527 3.997 1.00 0.00 O ATOM 0 H GLY A 96 13.537 -10.090 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.425 -9.977 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.441 -11.023 4.954 1.00 0.00 H new ATOM 1447 N CYS A 97 14.877 -8.996 3.207 1.00 0.00 N ATOM 1448 CA CYS A 97 15.067 -8.231 1.996 1.00 0.00 C ATOM 1449 C CYS A 97 15.093 -6.724 2.255 1.00 0.00 C ATOM 1450 O CYS A 97 15.745 -5.997 1.520 1.00 0.00 O ATOM 1451 CB CYS A 97 14.038 -8.616 0.928 1.00 0.00 C ATOM 1452 SG CYS A 97 14.482 -10.155 0.041 1.00 0.00 S ATOM 0 H CYS A 97 13.954 -9.420 3.303 1.00 0.00 H new ATOM 0 HA CYS A 97 16.052 -8.488 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.062 -8.741 1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 97 13.944 -7.802 0.210 1.00 0.00 H new ATOM 1457 N GLU A 98 14.389 -6.238 3.284 1.00 0.00 N ATOM 1458 CA GLU A 98 14.538 -4.837 3.688 1.00 0.00 C ATOM 1459 C GLU A 98 15.940 -4.599 4.255 1.00 0.00 C ATOM 1460 O GLU A 98 16.515 -3.523 4.078 1.00 0.00 O ATOM 1461 CB GLU A 98 13.472 -4.451 4.717 1.00 0.00 C ATOM 1462 CG GLU A 98 13.304 -2.957 4.933 1.00 0.00 C ATOM 1463 CD GLU A 98 12.141 -2.643 5.857 1.00 0.00 C ATOM 1464 OE1 GLU A 98 10.981 -2.631 5.387 1.00 0.00 O ATOM 1465 OE2 GLU A 98 12.375 -2.405 7.061 1.00 0.00 O ATOM 0 H GLU A 98 13.726 -6.779 3.840 1.00 0.00 H new ATOM 0 HA GLU A 98 14.403 -4.208 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.515 -4.868 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.723 -4.915 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.222 -2.546 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.146 -2.467 3.972 1.00 0.00 H new ATOM 1472 N LYS A 99 16.490 -5.610 4.935 1.00 0.00 N ATOM 1473 CA LYS A 99 17.851 -5.532 5.446 1.00 0.00 C ATOM 1474 C LYS A 99 18.872 -5.584 4.307 1.00 0.00 C ATOM 1475 O LYS A 99 19.845 -4.830 4.297 1.00 0.00 O ATOM 1476 CB LYS A 99 18.110 -6.685 6.414 1.00 0.00 C ATOM 1477 CG LYS A 99 19.438 -6.595 7.138 1.00 0.00 C ATOM 1478 CD LYS A 99 19.425 -5.496 8.184 1.00 0.00 C ATOM 1479 CE LYS A 99 20.704 -5.491 8.999 1.00 0.00 C ATOM 1480 NZ LYS A 99 20.612 -4.570 10.160 1.00 0.00 N ATOM 0 H LYS A 99 16.011 -6.487 5.141 1.00 0.00 H new ATOM 0 HA LYS A 99 17.962 -4.581 5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.307 -6.715 7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.071 -7.624 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.660 -7.550 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.234 -6.405 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.299 -4.529 7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.570 -5.633 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.915 -6.501 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 99 21.539 -5.194 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.505 -4.593 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.436 -3.602 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.831 -4.868 10.779 1.00 0.00 H new ATOM 1494 N SER A 100 18.645 -6.473 3.346 1.00 0.00 N ATOM 1495 CA SER A 100 19.587 -6.679 2.253 1.00 0.00 C ATOM 1496 C SER A 100 19.226 -5.838 1.031 1.00 0.00 C ATOM 1497 O SER A 100 19.794 -6.017 -0.047 1.00 0.00 O ATOM 1498 CB SER A 100 19.641 -8.162 1.877 1.00 0.00 C ATOM 1499 OG SER A 100 18.347 -8.666 1.588 1.00 0.00 O ATOM 0 H SER A 100 17.815 -7.064 3.302 1.00 0.00 H new ATOM 0 HA SER A 100 20.570 -6.358 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.288 -8.297 1.010 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.081 -8.731 2.695 1.00 0.00 H new ATOM 0 HG SER A 100 17.846 -8.778 2.423 1.00 0.00 H new ATOM 1505 N ALA A 101 18.284 -4.920 1.208 1.00 0.00 N ATOM 1506 CA ALA A 101 17.908 -3.992 0.150 1.00 0.00 C ATOM 1507 C ALA A 101 19.093 -3.080 -0.183 1.00 0.00 C ATOM 1508 O ALA A 101 19.987 -2.906 0.652 1.00 0.00 O ATOM 1509 CB ALA A 101 16.681 -3.184 0.568 1.00 0.00 C ATOM 0 H ALA A 101 17.765 -4.798 2.078 1.00 0.00 H new ATOM 0 HA ALA A 101 17.646 -4.551 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.410 -2.494 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.848 -3.860 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 101 16.908 -2.620 1.473 1.00 0.00 H new ATOM 1515 N PRO A 102 19.131 -2.511 -1.408 1.00 0.00 N ATOM 1516 CA PRO A 102 20.249 -1.679 -1.876 1.00 0.00 C ATOM 1517 C PRO A 102 20.611 -0.575 -0.883 1.00 0.00 C ATOM 1518 O PRO A 102 19.773 -0.155 -0.082 1.00 0.00 O ATOM 1519 CB PRO A 102 19.736 -1.073 -3.194 1.00 0.00 C ATOM 1520 CG PRO A 102 18.273 -1.363 -3.228 1.00 0.00 C ATOM 1521 CD PRO A 102 18.079 -2.615 -2.427 1.00 0.00 C ATOM 0 HA PRO A 102 21.161 -2.264 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.924 0.000 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 102 20.243 -1.515 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 102 17.702 -0.537 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.926 -1.498 -4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.086 -2.661 -1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.195 -3.510 -3.039 1.00 0.00 H new ATOM 1529 N PRO A 103 21.863 -0.079 -0.938 1.00 0.00 N ATOM 1530 CA PRO A 103 22.388 0.916 0.015 1.00 0.00 C ATOM 1531 C PRO A 103 21.740 2.297 -0.125 1.00 0.00 C ATOM 1532 O PRO A 103 22.325 3.313 0.254 1.00 0.00 O ATOM 1533 CB PRO A 103 23.884 1.000 -0.330 1.00 0.00 C ATOM 1534 CG PRO A 103 24.161 -0.180 -1.201 1.00 0.00 C ATOM 1535 CD PRO A 103 22.880 -0.458 -1.928 1.00 0.00 C ATOM 0 HA PRO A 103 22.181 0.616 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.116 1.932 -0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.496 0.974 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.970 0.031 -1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.469 -1.041 -0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.796 0.131 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.796 -1.506 -2.215 1.00 0.00 H new ATOM 1543 N ASN A 104 20.532 2.324 -0.656 1.00 0.00 N ATOM 1544 CA ASN A 104 19.753 3.543 -0.751 1.00 0.00 C ATOM 1545 C ASN A 104 18.575 3.446 0.202 1.00 0.00 C ATOM 1546 O ASN A 104 17.627 2.703 -0.055 1.00 0.00 O ATOM 1547 CB ASN A 104 19.248 3.764 -2.182 1.00 0.00 C ATOM 1548 CG ASN A 104 20.370 3.939 -3.188 1.00 0.00 C ATOM 1549 OD1 ASN A 104 20.875 2.964 -3.751 1.00 0.00 O ATOM 1550 ND2 ASN A 104 20.759 5.179 -3.434 1.00 0.00 N ATOM 0 H ASN A 104 20.063 1.501 -1.034 1.00 0.00 H new ATOM 0 HA ASN A 104 20.385 4.390 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 104 18.631 2.916 -2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.608 4.646 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 104 21.502 5.356 -4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 104 20.316 5.958 -2.947 1.00 0.00 H new ATOM 1557 N ASP A 105 18.648 4.156 1.318 1.00 0.00 N ATOM 1558 CA ASP A 105 17.565 4.129 2.292 1.00 0.00 C ATOM 1559 C ASP A 105 16.399 4.959 1.792 1.00 0.00 C ATOM 1560 O ASP A 105 16.293 6.151 2.085 1.00 0.00 O ATOM 1561 CB ASP A 105 18.023 4.640 3.662 1.00 0.00 C ATOM 1562 CG ASP A 105 16.934 4.525 4.715 1.00 0.00 C ATOM 1563 OD1 ASP A 105 16.619 3.390 5.127 1.00 0.00 O ATOM 1564 OD2 ASP A 105 16.395 5.567 5.152 1.00 0.00 O ATOM 0 H ASP A 105 19.436 4.752 1.571 1.00 0.00 H new ATOM 0 HA ASP A 105 17.250 3.092 2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.898 4.075 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.331 5.682 3.574 1.00 0.00 H new ATOM 1569 N ASP A 106 15.557 4.343 0.986 1.00 0.00 N ATOM 1570 CA ASP A 106 14.385 5.018 0.477 1.00 0.00 C ATOM 1571 C ASP A 106 13.167 4.584 1.266 1.00 0.00 C ATOM 1572 O ASP A 106 12.667 3.464 1.107 1.00 0.00 O ATOM 1573 CB ASP A 106 14.182 4.737 -1.010 1.00 0.00 C ATOM 1574 CG ASP A 106 13.125 5.636 -1.624 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.952 5.566 -1.195 1.00 0.00 O ATOM 1576 OD2 ASP A 106 13.466 6.400 -2.552 1.00 0.00 O ATOM 0 H ASP A 106 15.664 3.379 0.671 1.00 0.00 H new ATOM 0 HA ASP A 106 14.529 6.092 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.126 4.877 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.893 3.695 -1.145 1.00 0.00 H new ATOM 1581 N LYS A 107 12.739 5.479 2.143 1.00 0.00 N ATOM 1582 CA LYS A 107 11.569 5.267 3.003 1.00 0.00 C ATOM 1583 C LYS A 107 10.409 4.518 2.322 1.00 0.00 C ATOM 1584 O LYS A 107 9.886 3.561 2.893 1.00 0.00 O ATOM 1585 CB LYS A 107 11.058 6.598 3.568 1.00 0.00 C ATOM 1586 CG LYS A 107 11.373 6.783 5.046 1.00 0.00 C ATOM 1587 CD LYS A 107 12.829 7.151 5.277 1.00 0.00 C ATOM 1588 CE LYS A 107 13.301 6.736 6.660 1.00 0.00 C ATOM 1589 NZ LYS A 107 14.755 6.984 6.840 1.00 0.00 N ATOM 0 H LYS A 107 13.192 6.382 2.284 1.00 0.00 H new ATOM 0 HA LYS A 107 11.923 4.624 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.501 7.419 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.979 6.657 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.732 7.563 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.142 5.863 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.450 6.670 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.956 8.227 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.741 7.286 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.090 5.678 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.063 6.597 7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 15.284 6.522 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.938 8.008 6.818 1.00 0.00 H new ATOM 1603 N CYS A 108 9.975 4.940 1.135 1.00 0.00 N ATOM 1604 CA CYS A 108 8.829 4.300 0.513 1.00 0.00 C ATOM 1605 C CYS A 108 9.219 3.199 -0.486 1.00 0.00 C ATOM 1606 O CYS A 108 8.405 2.328 -0.775 1.00 0.00 O ATOM 1607 CB CYS A 108 7.950 5.351 -0.164 1.00 0.00 C ATOM 1608 SG CYS A 108 6.234 4.818 -0.433 1.00 0.00 S ATOM 0 H CYS A 108 10.390 5.703 0.600 1.00 0.00 H new ATOM 0 HA CYS A 108 8.270 3.807 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.948 6.255 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 108 8.392 5.615 -1.125 1.00 0.00 H new ATOM 1613 N MET A 109 10.445 3.205 -1.009 1.00 0.00 N ATOM 1614 CA MET A 109 10.831 2.206 -2.008 1.00 0.00 C ATOM 1615 C MET A 109 11.069 0.826 -1.389 1.00 0.00 C ATOM 1616 O MET A 109 10.855 -0.210 -2.033 1.00 0.00 O ATOM 1617 CB MET A 109 12.084 2.628 -2.776 1.00 0.00 C ATOM 1618 CG MET A 109 11.802 3.506 -3.983 1.00 0.00 C ATOM 1619 SD MET A 109 10.773 2.687 -5.223 1.00 0.00 S ATOM 1620 CE MET A 109 11.787 1.264 -5.619 1.00 0.00 C ATOM 0 H MET A 109 11.175 3.875 -0.765 1.00 0.00 H new ATOM 0 HA MET A 109 9.990 2.139 -2.698 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.750 3.162 -2.099 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.614 1.734 -3.105 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.307 4.420 -3.654 1.00 0.00 H new ATOM 0 HG3 MET A 109 12.747 3.802 -4.440 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.475 0.851 -6.578 1.00 0.00 H new ATOM 0 HE2 MET A 109 12.832 1.567 -5.677 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.671 0.507 -4.843 1.00 0.00 H new ATOM 1630 N LYS A 110 11.487 0.823 -0.129 1.00 0.00 N ATOM 1631 CA LYS A 110 11.907 -0.410 0.545 1.00 0.00 C ATOM 1632 C LYS A 110 10.813 -1.460 0.515 1.00 0.00 C ATOM 1633 O LYS A 110 11.059 -2.636 0.247 1.00 0.00 O ATOM 1634 CB LYS A 110 12.298 -0.147 2.002 1.00 0.00 C ATOM 1635 CG LYS A 110 11.323 0.728 2.775 1.00 0.00 C ATOM 1636 CD LYS A 110 11.458 0.489 4.267 1.00 0.00 C ATOM 1637 CE LYS A 110 10.686 1.504 5.088 1.00 0.00 C ATOM 1638 NZ LYS A 110 10.833 1.250 6.547 1.00 0.00 N ATOM 0 H LYS A 110 11.546 1.660 0.452 1.00 0.00 H new ATOM 0 HA LYS A 110 12.776 -0.780 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 110 12.393 -1.103 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.281 0.324 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.512 1.778 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.303 0.513 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.102 -0.513 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.511 0.527 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.041 2.508 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.631 1.467 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.293 1.962 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.472 0.301 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.837 1.309 6.810 1.00 0.00 H new ATOM 1652 N THR A 111 9.612 -1.020 0.819 1.00 0.00 N ATOM 1653 CA THR A 111 8.447 -1.881 0.818 1.00 0.00 C ATOM 1654 C THR A 111 8.209 -2.558 -0.545 1.00 0.00 C ATOM 1655 O THR A 111 7.516 -3.574 -0.618 1.00 0.00 O ATOM 1656 CB THR A 111 7.203 -1.083 1.257 1.00 0.00 C ATOM 1657 OG1 THR A 111 6.086 -1.956 1.471 1.00 0.00 O ATOM 1658 CG2 THR A 111 6.831 -0.004 0.238 1.00 0.00 C ATOM 0 H THR A 111 9.414 -0.053 1.075 1.00 0.00 H new ATOM 0 HA THR A 111 8.634 -2.683 1.533 1.00 0.00 H new ATOM 0 HB THR A 111 7.455 -0.590 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.308 -1.429 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.950 0.535 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.662 0.693 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.616 -0.470 -0.724 1.00 0.00 H new ATOM 1666 N ILE A 112 8.833 -2.060 -1.610 1.00 0.00 N ATOM 1667 CA ILE A 112 8.683 -2.692 -2.903 1.00 0.00 C ATOM 1668 C ILE A 112 9.772 -3.740 -3.064 1.00 0.00 C ATOM 1669 O ILE A 112 9.525 -4.828 -3.594 1.00 0.00 O ATOM 1670 CB ILE A 112 8.715 -1.685 -4.074 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.420 -0.870 -4.135 1.00 0.00 C ATOM 1672 CG2 ILE A 112 8.969 -2.387 -5.399 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.495 0.441 -3.383 1.00 0.00 C ATOM 0 H ILE A 112 9.435 -1.236 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 112 7.699 -3.159 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 112 9.542 -0.998 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.176 -0.668 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.605 -1.467 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.986 -1.651 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.928 -2.903 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.175 -3.110 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.543 0.965 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.708 0.246 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.288 1.058 -3.805 1.00 0.00 H new ATOM 1685 N ASP A 113 10.966 -3.428 -2.553 1.00 0.00 N ATOM 1686 CA ASP A 113 12.072 -4.376 -2.566 1.00 0.00 C ATOM 1687 C ASP A 113 11.707 -5.646 -1.808 1.00 0.00 C ATOM 1688 O ASP A 113 12.054 -6.750 -2.227 1.00 0.00 O ATOM 1689 CB ASP A 113 13.338 -3.766 -1.960 1.00 0.00 C ATOM 1690 CG ASP A 113 14.005 -2.759 -2.874 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.854 -3.172 -3.692 1.00 0.00 O ATOM 1692 OD2 ASP A 113 13.686 -1.557 -2.771 1.00 0.00 O ATOM 0 H ASP A 113 11.187 -2.528 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 113 12.270 -4.625 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.086 -3.281 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.045 -4.563 -1.730 1.00 0.00 H new ATOM 1697 N VAL A 114 10.977 -5.506 -0.706 1.00 0.00 N ATOM 1698 CA VAL A 114 10.578 -6.670 0.059 1.00 0.00 C ATOM 1699 C VAL A 114 9.391 -7.361 -0.599 1.00 0.00 C ATOM 1700 O VAL A 114 9.308 -8.583 -0.623 1.00 0.00 O ATOM 1701 CB VAL A 114 10.226 -6.349 1.527 1.00 0.00 C ATOM 1702 CG1 VAL A 114 11.473 -6.036 2.319 1.00 0.00 C ATOM 1703 CG2 VAL A 114 9.273 -5.194 1.614 1.00 0.00 C ATOM 0 H VAL A 114 10.657 -4.613 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 114 11.445 -7.330 0.070 1.00 0.00 H new ATOM 0 HB VAL A 114 9.746 -7.231 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.202 -5.813 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.143 -6.896 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.975 -5.174 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.043 -4.990 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.729 -4.312 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.354 -5.439 1.081 1.00 0.00 H new ATOM 1713 N ALA A 115 8.482 -6.564 -1.151 1.00 0.00 N ATOM 1714 CA ALA A 115 7.283 -7.089 -1.788 1.00 0.00 C ATOM 1715 C ALA A 115 7.614 -7.995 -2.968 1.00 0.00 C ATOM 1716 O ALA A 115 7.149 -9.138 -3.035 1.00 0.00 O ATOM 1717 CB ALA A 115 6.400 -5.945 -2.226 1.00 0.00 C ATOM 0 H ALA A 115 8.555 -5.547 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 115 6.752 -7.699 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.503 -6.340 -2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.118 -5.350 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.941 -5.318 -2.935 1.00 0.00 H new ATOM 1723 N MET A 116 8.428 -7.500 -3.898 1.00 0.00 N ATOM 1724 CA MET A 116 8.814 -8.318 -5.043 1.00 0.00 C ATOM 1725 C MET A 116 9.741 -9.449 -4.601 1.00 0.00 C ATOM 1726 O MET A 116 9.859 -10.469 -5.281 1.00 0.00 O ATOM 1727 CB MET A 116 9.413 -7.482 -6.201 1.00 0.00 C ATOM 1728 CG MET A 116 10.621 -6.612 -5.866 1.00 0.00 C ATOM 1729 SD MET A 116 12.105 -7.557 -5.476 1.00 0.00 S ATOM 1730 CE MET A 116 13.301 -6.230 -5.345 1.00 0.00 C ATOM 0 H MET A 116 8.824 -6.560 -3.883 1.00 0.00 H new ATOM 0 HA MET A 116 7.907 -8.766 -5.449 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.697 -8.165 -7.002 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.628 -6.837 -6.596 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.830 -5.955 -6.710 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.374 -5.973 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A 116 14.161 -6.451 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.844 -5.295 -5.668 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.628 -6.135 -4.309 1.00 0.00 H new ATOM 1740 N CYS A 117 10.354 -9.284 -3.431 1.00 0.00 N ATOM 1741 CA CYS A 117 11.160 -10.331 -2.827 1.00 0.00 C ATOM 1742 C CYS A 117 10.271 -11.461 -2.314 1.00 0.00 C ATOM 1743 O CYS A 117 10.659 -12.625 -2.327 1.00 0.00 O ATOM 1744 CB CYS A 117 12.005 -9.746 -1.689 1.00 0.00 C ATOM 1745 SG CYS A 117 12.725 -10.981 -0.557 1.00 0.00 S ATOM 0 H CYS A 117 10.304 -8.426 -2.882 1.00 0.00 H new ATOM 0 HA CYS A 117 11.828 -10.744 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.813 -9.156 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.385 -9.061 -1.110 1.00 0.00 H new ATOM 1750 N PHE A 118 9.061 -11.118 -1.906 1.00 0.00 N ATOM 1751 CA PHE A 118 8.144 -12.101 -1.360 1.00 0.00 C ATOM 1752 C PHE A 118 7.528 -12.943 -2.472 1.00 0.00 C ATOM 1753 O PHE A 118 7.479 -14.169 -2.367 1.00 0.00 O ATOM 1754 CB PHE A 118 7.058 -11.423 -0.503 1.00 0.00 C ATOM 1755 CG PHE A 118 6.060 -12.379 0.095 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.415 -13.201 1.153 1.00 0.00 C ATOM 1757 CD2 PHE A 118 4.767 -12.454 -0.401 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.502 -14.080 1.702 1.00 0.00 C ATOM 1759 CE2 PHE A 118 3.850 -13.332 0.145 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.219 -14.144 1.199 1.00 0.00 C ATOM 0 H PHE A 118 8.692 -10.168 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 118 8.708 -12.770 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.540 -10.867 0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.526 -10.697 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.417 -13.154 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.473 -11.819 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.792 -14.717 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 118 2.847 -13.383 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.504 -14.829 1.629 1.00 0.00 H new ATOM 1770 N LYS A 119 7.070 -12.302 -3.550 1.00 0.00 N ATOM 1771 CA LYS A 119 6.448 -13.050 -4.638 1.00 0.00 C ATOM 1772 C LYS A 119 7.500 -13.874 -5.388 1.00 0.00 C ATOM 1773 O LYS A 119 7.196 -14.942 -5.916 1.00 0.00 O ATOM 1774 CB LYS A 119 5.695 -12.125 -5.604 1.00 0.00 C ATOM 1775 CG LYS A 119 6.549 -11.617 -6.748 1.00 0.00 C ATOM 1776 CD LYS A 119 6.162 -10.224 -7.191 1.00 0.00 C ATOM 1777 CE LYS A 119 7.156 -9.713 -8.212 1.00 0.00 C ATOM 1778 NZ LYS A 119 7.057 -10.449 -9.501 1.00 0.00 N ATOM 0 H LYS A 119 7.117 -11.293 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 119 5.717 -13.729 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.837 -12.660 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.304 -11.273 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.596 -11.619 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.461 -12.300 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.160 -10.235 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.134 -9.554 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.983 -8.651 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.166 -9.811 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.766 -10.080 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.230 -11.461 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.106 -10.321 -9.902 1.00 0.00 H new ATOM 1792 N LYS A 120 8.747 -13.386 -5.423 1.00 0.00 N ATOM 1793 CA LYS A 120 9.826 -14.133 -6.037 1.00 0.00 C ATOM 1794 C LYS A 120 10.102 -15.399 -5.218 1.00 0.00 C ATOM 1795 O LYS A 120 10.251 -16.493 -5.771 1.00 0.00 O ATOM 1796 CB LYS A 120 11.050 -13.219 -6.160 1.00 0.00 C ATOM 1797 CG LYS A 120 12.368 -13.909 -6.468 1.00 0.00 C ATOM 1798 CD LYS A 120 13.093 -14.308 -5.192 1.00 0.00 C ATOM 1799 CE LYS A 120 12.907 -13.263 -4.100 1.00 0.00 C ATOM 1800 NZ LYS A 120 13.972 -13.335 -3.062 1.00 0.00 N ATOM 0 H LYS A 120 9.021 -12.484 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 120 9.558 -14.460 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.854 -12.486 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.161 -12.666 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.184 -14.794 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.001 -13.244 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.719 -15.271 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.155 -14.435 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.906 -12.269 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.934 -13.402 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.670 -12.809 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.143 -14.329 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.849 -12.917 -3.434 1.00 0.00 H new ATOM 1814 N GLU A 121 10.143 -15.245 -3.895 1.00 0.00 N ATOM 1815 CA GLU A 121 10.269 -16.397 -3.001 1.00 0.00 C ATOM 1816 C GLU A 121 9.119 -17.394 -3.177 1.00 0.00 C ATOM 1817 O GLU A 121 9.372 -18.574 -3.396 1.00 0.00 O ATOM 1818 CB GLU A 121 10.337 -15.964 -1.538 1.00 0.00 C ATOM 1819 CG GLU A 121 11.650 -15.315 -1.146 1.00 0.00 C ATOM 1820 CD GLU A 121 12.855 -16.175 -1.466 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.176 -17.080 -0.675 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.505 -15.926 -2.499 1.00 0.00 O ATOM 0 H GLU A 121 10.091 -14.343 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 121 11.201 -16.891 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.525 -15.265 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.171 -16.835 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.745 -14.360 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.638 -15.100 -0.078 1.00 0.00 H new ATOM 1829 N ILE A 122 7.860 -16.930 -3.081 1.00 0.00 N ATOM 1830 CA ILE A 122 6.711 -17.824 -3.194 1.00 0.00 C ATOM 1831 C ILE A 122 6.743 -18.612 -4.507 1.00 0.00 C ATOM 1832 O ILE A 122 6.308 -19.761 -4.557 1.00 0.00 O ATOM 1833 CB ILE A 122 5.363 -17.071 -3.049 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.275 -18.042 -2.608 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.937 -16.410 -4.338 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.921 -17.396 -2.394 1.00 0.00 C ATOM 0 H ILE A 122 7.622 -15.950 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 122 6.785 -18.528 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 122 5.508 -16.292 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.177 -18.827 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.587 -18.524 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.988 -15.896 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.695 -15.690 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.820 -17.167 -5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.202 -18.153 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.001 -16.631 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 122 2.585 -16.938 -3.325 1.00 0.00 H new ATOM 1848 N HIS A 123 7.270 -17.998 -5.565 1.00 0.00 N ATOM 1849 CA HIS A 123 7.390 -18.683 -6.848 1.00 0.00 C ATOM 1850 C HIS A 123 8.472 -19.769 -6.817 1.00 0.00 C ATOM 1851 O HIS A 123 8.335 -20.804 -7.468 1.00 0.00 O ATOM 1852 CB HIS A 123 7.688 -17.686 -7.973 1.00 0.00 C ATOM 1853 CG HIS A 123 6.471 -17.003 -8.522 1.00 0.00 C ATOM 1854 ND1 HIS A 123 5.383 -16.484 -7.903 1.00 0.00 N flip ATOM 1855 CD2 HIS A 123 6.283 -16.784 -9.868 1.00 0.00 C flip ATOM 1856 CE1 HIS A 123 4.569 -15.964 -8.879 1.00 0.00 C flip ATOM 1857 NE2 HIS A 123 5.136 -16.160 -10.055 1.00 0.00 N flip ATOM 0 H HIS A 123 7.617 -17.039 -5.559 1.00 0.00 H new ATOM 0 HA HIS A 123 6.432 -19.165 -7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.379 -16.930 -7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.195 -18.210 -8.784 1.00 0.00 H new ATOM 0 HD2 HIS A 123 6.968 -17.078 -10.650 1.00 0.00 H new ATOM 0 HE1 HIS A 123 3.621 -15.475 -8.712 1.00 0.00 H new ATOM 0 HE2 HIS A 123 4.752 -15.877 -10.956 1.00 0.00 H new ATOM 1866 N LYS A 124 9.536 -19.542 -6.051 1.00 0.00 N ATOM 1867 CA LYS A 124 10.588 -20.527 -5.874 1.00 0.00 C ATOM 1868 C LYS A 124 10.141 -21.628 -4.913 1.00 0.00 C ATOM 1869 O LYS A 124 10.752 -22.688 -4.832 1.00 0.00 O ATOM 1870 CB LYS A 124 11.841 -19.825 -5.358 1.00 0.00 C ATOM 1871 CG LYS A 124 13.098 -20.666 -5.428 1.00 0.00 C ATOM 1872 CD LYS A 124 14.312 -19.787 -5.642 1.00 0.00 C ATOM 1873 CE LYS A 124 14.597 -18.896 -4.442 1.00 0.00 C ATOM 1874 NZ LYS A 124 15.759 -18.004 -4.695 1.00 0.00 N ATOM 0 H LYS A 124 9.689 -18.673 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 124 10.810 -21.000 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.996 -18.912 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.675 -19.525 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.213 -21.237 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.016 -21.387 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 124 15.181 -20.414 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.158 -19.166 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.717 -18.294 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 124 14.794 -19.514 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.928 -17.409 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 16.603 -18.580 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 15.559 -17.398 -5.516 1.00 0.00 H new ATOM 1888 N LEU A 125 9.073 -21.358 -4.180 1.00 0.00 N ATOM 1889 CA LEU A 125 8.505 -22.335 -3.256 1.00 0.00 C ATOM 1890 C LEU A 125 7.611 -23.346 -3.983 1.00 0.00 C ATOM 1891 O LEU A 125 6.898 -24.120 -3.343 1.00 0.00 O ATOM 1892 CB LEU A 125 7.697 -21.629 -2.161 1.00 0.00 C ATOM 1893 CG LEU A 125 8.478 -20.623 -1.313 1.00 0.00 C ATOM 1894 CD1 LEU A 125 7.566 -19.969 -0.290 1.00 0.00 C ATOM 1895 CD2 LEU A 125 9.653 -21.296 -0.621 1.00 0.00 C ATOM 0 H LEU A 125 8.578 -20.467 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 125 9.336 -22.877 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.859 -21.111 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.275 -22.386 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 125 8.868 -19.851 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.138 -19.256 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.758 -19.447 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.146 -20.733 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.193 -20.561 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.286 -22.092 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.323 -21.718 -1.370 1.00 0.00 H new ATOM 1907 N ASN A 126 7.642 -23.345 -5.315 1.00 0.00 N ATOM 1908 CA ASN A 126 6.801 -24.249 -6.087 1.00 0.00 C ATOM 1909 C ASN A 126 7.612 -24.897 -7.213 1.00 0.00 C ATOM 1910 O ASN A 126 8.662 -25.483 -6.957 1.00 0.00 O ATOM 1911 CB ASN A 126 5.587 -23.499 -6.646 1.00 0.00 C ATOM 1912 CG ASN A 126 4.407 -24.420 -6.913 1.00 0.00 C ATOM 1913 OD1 ASN A 126 4.575 -25.614 -7.171 1.00 0.00 O ATOM 1914 ND2 ASN A 126 3.204 -23.870 -6.861 1.00 0.00 N ATOM 0 H ASN A 126 8.236 -22.733 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 126 6.438 -25.040 -5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.287 -22.724 -5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.869 -22.997 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 126 2.375 -24.438 -7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 126 3.106 -22.878 -6.644 1.00 0.00 H new ATOM 1921 N TRP A 127 7.129 -24.799 -8.451 1.00 0.00 N ATOM 1922 CA TRP A 127 7.804 -25.415 -9.593 1.00 0.00 C ATOM 1923 C TRP A 127 9.146 -24.749 -9.878 1.00 0.00 C ATOM 1924 O TRP A 127 9.207 -23.685 -10.495 1.00 0.00 O ATOM 1925 CB TRP A 127 6.924 -25.331 -10.836 1.00 0.00 C ATOM 1926 CG TRP A 127 5.511 -25.726 -10.570 1.00 0.00 C ATOM 1927 CD1 TRP A 127 4.461 -24.883 -10.379 1.00 0.00 C ATOM 1928 CD2 TRP A 127 4.995 -27.054 -10.444 1.00 0.00 C ATOM 1929 NE1 TRP A 127 3.323 -25.601 -10.134 1.00 0.00 N ATOM 1930 CE2 TRP A 127 3.621 -26.938 -10.174 1.00 0.00 C ATOM 1931 CE3 TRP A 127 5.561 -28.329 -10.533 1.00 0.00 C ATOM 1932 CZ2 TRP A 127 2.802 -28.047 -9.992 1.00 0.00 C ATOM 1933 CZ3 TRP A 127 4.746 -29.431 -10.353 1.00 0.00 C ATOM 1934 CH2 TRP A 127 3.380 -29.283 -10.086 1.00 0.00 C ATOM 0 H TRP A 127 6.273 -24.299 -8.689 1.00 0.00 H new ATOM 0 HA TRP A 127 7.985 -26.460 -9.340 1.00 0.00 H new ATOM 0 HB2 TRP A 127 6.945 -24.312 -11.223 1.00 0.00 H new ATOM 0 HB3 TRP A 127 7.337 -25.975 -11.612 1.00 0.00 H new ATOM 0 HD1 TRP A 127 4.517 -23.805 -10.415 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.401 -25.205 -9.951 1.00 0.00 H new ATOM 0 HE3 TRP A 127 6.614 -28.451 -10.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 1.748 -27.936 -9.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 5.170 -30.422 -10.419 1.00 0.00 H new ATOM 0 HH2 TRP A 127 2.769 -30.164 -9.951 1.00 0.00 H new ATOM 1945 N VAL A 128 10.215 -25.380 -9.418 1.00 0.00 N ATOM 1946 CA VAL A 128 11.561 -24.891 -9.660 1.00 0.00 C ATOM 1947 C VAL A 128 12.582 -25.988 -9.364 1.00 0.00 C ATOM 1948 O VAL A 128 12.497 -26.673 -8.342 1.00 0.00 O ATOM 1949 CB VAL A 128 11.872 -23.634 -8.809 1.00 0.00 C ATOM 1950 CG1 VAL A 128 11.816 -23.951 -7.325 1.00 0.00 C ATOM 1951 CG2 VAL A 128 13.225 -23.041 -9.179 1.00 0.00 C ATOM 0 H VAL A 128 10.174 -26.239 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 128 11.628 -24.610 -10.711 1.00 0.00 H new ATOM 0 HB VAL A 128 11.105 -22.891 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 128 12.038 -23.051 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 128 10.819 -24.309 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.550 -24.721 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 128 13.416 -22.160 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.006 -23.781 -9.005 1.00 0.00 H new ATOM 0 HG23 VAL A 128 13.222 -22.757 -10.231 1.00 0.00 H new ATOM 1961 N PRO A 129 13.538 -26.199 -10.272 1.00 0.00 N ATOM 1962 CA PRO A 129 14.625 -27.155 -10.078 1.00 0.00 C ATOM 1963 C PRO A 129 15.709 -26.595 -9.159 1.00 0.00 C ATOM 1964 O PRO A 129 16.885 -26.550 -9.522 1.00 0.00 O ATOM 1965 CB PRO A 129 15.185 -27.367 -11.495 1.00 0.00 C ATOM 1966 CG PRO A 129 14.292 -26.595 -12.414 1.00 0.00 C ATOM 1967 CD PRO A 129 13.631 -25.544 -11.578 1.00 0.00 C ATOM 0 HA PRO A 129 14.282 -28.076 -9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 129 16.214 -27.014 -11.564 1.00 0.00 H new ATOM 0 HB3 PRO A 129 15.193 -28.425 -11.757 1.00 0.00 H new ATOM 0 HG2 PRO A 129 14.865 -26.143 -13.224 1.00 0.00 H new ATOM 0 HG3 PRO A 129 13.551 -27.248 -12.874 1.00 0.00 H new ATOM 0 HD2 PRO A 129 14.221 -24.629 -11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.650 -25.272 -11.967 1.00 0.00 H new ATOM 1975 N ASN A 130 15.307 -26.170 -7.966 1.00 0.00 N ATOM 1976 CA ASN A 130 16.239 -25.582 -7.013 1.00 0.00 C ATOM 1977 C ASN A 130 17.029 -26.667 -6.296 1.00 0.00 C ATOM 1978 O ASN A 130 16.499 -27.378 -5.440 1.00 0.00 O ATOM 1979 CB ASN A 130 15.505 -24.703 -5.995 1.00 0.00 C ATOM 1980 CG ASN A 130 16.465 -23.962 -5.078 1.00 0.00 C ATOM 1981 OD1 ASN A 130 16.936 -22.876 -5.410 1.00 0.00 O ATOM 1982 ND2 ASN A 130 16.755 -24.534 -3.916 1.00 0.00 N ATOM 0 H ASN A 130 14.343 -26.222 -7.637 1.00 0.00 H new ATOM 0 HA ASN A 130 16.933 -24.953 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 130 14.881 -23.982 -6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 130 14.839 -25.323 -5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 130 17.388 -24.071 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 130 16.345 -25.436 -3.675 1.00 0.00 H new ATOM 1989 N MET A 131 18.293 -26.796 -6.661 1.00 0.00 N ATOM 1990 CA MET A 131 19.171 -27.793 -6.073 1.00 0.00 C ATOM 1991 C MET A 131 20.599 -27.263 -6.023 1.00 0.00 C ATOM 1992 O MET A 131 21.166 -26.873 -7.044 1.00 0.00 O ATOM 1993 CB MET A 131 19.102 -29.107 -6.865 1.00 0.00 C ATOM 1994 CG MET A 131 19.365 -28.947 -8.355 1.00 0.00 C ATOM 1995 SD MET A 131 19.166 -30.491 -9.263 1.00 0.00 S ATOM 1996 CE MET A 131 19.476 -29.942 -10.941 1.00 0.00 C ATOM 0 H MET A 131 18.738 -26.215 -7.371 1.00 0.00 H new ATOM 0 HA MET A 131 18.841 -27.998 -5.055 1.00 0.00 H new ATOM 0 HB2 MET A 131 19.828 -29.807 -6.452 1.00 0.00 H new ATOM 0 HB3 MET A 131 18.116 -29.551 -6.726 1.00 0.00 H new ATOM 0 HG2 MET A 131 18.684 -28.200 -8.762 1.00 0.00 H new ATOM 0 HG3 MET A 131 20.377 -28.570 -8.503 1.00 0.00 H new ATOM 0 HE1 MET A 131 19.389 -30.788 -11.623 1.00 0.00 H new ATOM 0 HE2 MET A 131 18.747 -29.179 -11.215 1.00 0.00 H new ATOM 0 HE3 MET A 131 20.481 -29.524 -11.007 1.00 0.00 H new ATOM 2006 N ASP A 132 21.166 -27.234 -4.829 1.00 0.00 N ATOM 2007 CA ASP A 132 22.501 -26.686 -4.625 1.00 0.00 C ATOM 2008 C ASP A 132 23.443 -27.770 -4.112 1.00 0.00 C ATOM 2009 O ASP A 132 22.993 -28.824 -3.655 1.00 0.00 O ATOM 2010 CB ASP A 132 22.434 -25.516 -3.635 1.00 0.00 C ATOM 2011 CG ASP A 132 23.760 -24.805 -3.463 1.00 0.00 C ATOM 2012 OD1 ASP A 132 24.290 -24.286 -4.466 1.00 0.00 O ATOM 2013 OD2 ASP A 132 24.278 -24.764 -2.327 1.00 0.00 O ATOM 0 H ASP A 132 20.722 -27.585 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 132 22.887 -26.320 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 132 21.687 -24.800 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 132 22.099 -25.887 -2.666 1.00 0.00 H new ATOM 2018 N LEU A 133 24.742 -27.528 -4.213 1.00 0.00 N ATOM 2019 CA LEU A 133 25.726 -28.463 -3.692 1.00 0.00 C ATOM 2020 C LEU A 133 25.824 -28.328 -2.179 1.00 0.00 C ATOM 2021 O LEU A 133 26.468 -27.411 -1.666 1.00 0.00 O ATOM 2022 CB LEU A 133 27.098 -28.227 -4.329 1.00 0.00 C ATOM 2023 CG LEU A 133 28.186 -29.208 -3.886 1.00 0.00 C ATOM 2024 CD1 LEU A 133 27.837 -30.619 -4.330 1.00 0.00 C ATOM 2025 CD2 LEU A 133 29.540 -28.792 -4.436 1.00 0.00 C ATOM 0 H LEU A 133 25.137 -26.695 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 133 25.402 -29.473 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 133 26.995 -28.285 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 133 27.424 -27.214 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 133 28.243 -29.192 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 133 28.620 -31.306 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 133 26.888 -30.916 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 133 27.753 -30.648 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 133 30.299 -29.503 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 133 29.501 -28.777 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 133 29.792 -27.797 -4.068 1.00 0.00 H new ATOM 2037 N VAL A 134 25.158 -29.230 -1.474 1.00 0.00 N ATOM 2038 CA VAL A 134 25.194 -29.246 -0.018 1.00 0.00 C ATOM 2039 C VAL A 134 26.595 -29.588 0.488 1.00 0.00 C ATOM 2040 O VAL A 134 27.085 -30.704 0.304 1.00 0.00 O ATOM 2041 CB VAL A 134 24.157 -30.237 0.563 1.00 0.00 C ATOM 2042 CG1 VAL A 134 22.751 -29.686 0.391 1.00 0.00 C ATOM 2043 CG2 VAL A 134 24.267 -31.602 -0.103 1.00 0.00 C ATOM 0 H VAL A 134 24.583 -29.964 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 134 24.934 -28.245 0.326 1.00 0.00 H new ATOM 0 HB VAL A 134 24.367 -30.359 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 134 22.030 -30.392 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 134 22.667 -28.734 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 134 22.546 -29.536 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 134 23.526 -32.277 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 134 24.088 -31.500 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 134 25.265 -32.008 0.061 1.00 0.00 H new ATOM 2053 N ILE A 135 27.250 -28.614 1.101 1.00 0.00 N ATOM 2054 CA ILE A 135 28.591 -28.808 1.603 1.00 0.00 C ATOM 2055 C ILE A 135 28.548 -29.355 3.026 1.00 0.00 C ATOM 2056 O ILE A 135 27.776 -28.882 3.869 1.00 0.00 O ATOM 2057 CB ILE A 135 29.408 -27.487 1.518 1.00 0.00 C ATOM 2058 CG1 ILE A 135 30.726 -27.575 2.308 1.00 0.00 C ATOM 2059 CG2 ILE A 135 28.571 -26.304 1.989 1.00 0.00 C ATOM 2060 CD1 ILE A 135 30.605 -27.144 3.756 1.00 0.00 C ATOM 0 H ILE A 135 26.869 -27.681 1.260 1.00 0.00 H new ATOM 0 HA ILE A 135 29.098 -29.543 0.978 1.00 0.00 H new ATOM 0 HB ILE A 135 29.668 -27.332 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 135 31.090 -28.602 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 135 31.475 -26.955 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 135 29.162 -25.390 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 135 27.686 -26.211 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 135 28.266 -26.463 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 135 31.575 -27.235 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 135 30.272 -26.107 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 135 29.881 -27.780 4.266 1.00 0.00 H new ATOM 2072 N GLY A 136 29.355 -30.373 3.272 1.00 0.00 N ATOM 2073 CA GLY A 136 29.451 -30.948 4.592 1.00 0.00 C ATOM 2074 C GLY A 136 30.893 -31.129 5.003 1.00 0.00 C ATOM 2075 O GLY A 136 31.721 -31.559 4.198 1.00 0.00 O ATOM 0 H GLY A 136 29.951 -30.814 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 136 28.943 -30.304 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 136 28.941 -31.911 4.610 1.00 0.00 H new ATOM 2079 N GLU A 137 31.206 -30.775 6.236 1.00 0.00 N ATOM 2080 CA GLU A 137 32.564 -30.900 6.740 1.00 0.00 C ATOM 2081 C GLU A 137 32.879 -32.344 7.094 1.00 0.00 C ATOM 2082 O GLU A 137 32.317 -32.896 8.043 1.00 0.00 O ATOM 2083 CB GLU A 137 32.767 -30.031 7.978 1.00 0.00 C ATOM 2084 CG GLU A 137 32.652 -28.540 7.719 1.00 0.00 C ATOM 2085 CD GLU A 137 32.750 -27.740 8.998 1.00 0.00 C ATOM 2086 OE1 GLU A 137 33.878 -27.370 9.389 1.00 0.00 O ATOM 2087 OE2 GLU A 137 31.703 -27.489 9.627 1.00 0.00 O ATOM 0 H GLU A 137 30.538 -30.398 6.909 1.00 0.00 H new ATOM 0 HA GLU A 137 33.237 -30.566 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 137 32.032 -30.315 8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 137 33.751 -30.240 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 137 33.440 -28.228 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 137 31.701 -28.328 7.229 1.00 0.00 H new ATOM 2094 N VAL A 138 33.755 -32.963 6.321 1.00 0.00 N ATOM 2095 CA VAL A 138 34.266 -34.278 6.669 1.00 0.00 C ATOM 2096 C VAL A 138 35.504 -34.103 7.537 1.00 0.00 C ATOM 2097 O VAL A 138 36.636 -34.212 7.064 1.00 0.00 O ATOM 2098 CB VAL A 138 34.612 -35.124 5.423 1.00 0.00 C ATOM 2099 CG1 VAL A 138 35.003 -36.542 5.820 1.00 0.00 C ATOM 2100 CG2 VAL A 138 33.446 -35.141 4.445 1.00 0.00 C ATOM 0 H VAL A 138 34.126 -32.578 5.452 1.00 0.00 H new ATOM 0 HA VAL A 138 33.487 -34.815 7.210 1.00 0.00 H new ATOM 0 HB VAL A 138 35.467 -34.664 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 138 35.242 -37.117 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 138 35.874 -36.510 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 138 34.173 -37.015 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 138 33.710 -35.742 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 138 32.570 -35.571 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 138 33.222 -34.122 4.128 1.00 0.00 H new ATOM 2110 N LEU A 139 35.278 -33.777 8.799 1.00 0.00 N ATOM 2111 CA LEU A 139 36.369 -33.465 9.708 1.00 0.00 C ATOM 2112 C LEU A 139 37.047 -34.739 10.195 1.00 0.00 C ATOM 2113 O LEU A 139 36.390 -35.745 10.478 1.00 0.00 O ATOM 2114 CB LEU A 139 35.897 -32.560 10.879 1.00 0.00 C ATOM 2115 CG LEU A 139 34.899 -33.126 11.923 1.00 0.00 C ATOM 2116 CD1 LEU A 139 33.711 -33.828 11.282 1.00 0.00 C ATOM 2117 CD2 LEU A 139 35.597 -34.037 12.924 1.00 0.00 C ATOM 0 H LEU A 139 34.349 -33.721 9.217 1.00 0.00 H new ATOM 0 HA LEU A 139 37.115 -32.891 9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 139 36.786 -32.234 11.419 1.00 0.00 H new ATOM 0 HB3 LEU A 139 35.444 -31.670 10.443 1.00 0.00 H new ATOM 0 HG LEU A 139 34.502 -32.267 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 139 33.047 -34.203 12.060 1.00 0.00 H new ATOM 0 HD12 LEU A 139 33.169 -33.123 10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 139 34.065 -34.661 10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 139 34.868 -34.416 13.641 1.00 0.00 H new ATOM 0 HD22 LEU A 139 36.056 -34.873 12.397 1.00 0.00 H new ATOM 0 HD23 LEU A 139 36.367 -33.475 13.452 1.00 0.00 H new ATOM 2129 N ALA A 140 38.364 -34.694 10.257 1.00 0.00 N ATOM 2130 CA ALA A 140 39.149 -35.841 10.676 1.00 0.00 C ATOM 2131 C ALA A 140 40.047 -35.475 11.844 1.00 0.00 C ATOM 2132 O ALA A 140 41.085 -34.838 11.666 1.00 0.00 O ATOM 2133 CB ALA A 140 39.976 -36.376 9.515 1.00 0.00 C ATOM 0 H ALA A 140 38.917 -33.870 10.021 1.00 0.00 H new ATOM 0 HA ALA A 140 38.464 -36.625 11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 140 40.558 -37.235 9.848 1.00 0.00 H new ATOM 0 HB2 ALA A 140 39.313 -36.679 8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 140 40.651 -35.597 9.160 1.00 0.00 H new ATOM 2139 N GLU A 141 39.631 -35.852 13.040 1.00 0.00 N ATOM 2140 CA GLU A 141 40.421 -35.596 14.229 1.00 0.00 C ATOM 2141 C GLU A 141 41.569 -36.597 14.302 1.00 0.00 C ATOM 2142 O GLU A 141 41.428 -37.741 13.871 1.00 0.00 O ATOM 2143 CB GLU A 141 39.552 -35.692 15.483 1.00 0.00 C ATOM 2144 CG GLU A 141 40.247 -35.195 16.737 1.00 0.00 C ATOM 2145 CD GLU A 141 39.435 -35.437 17.989 1.00 0.00 C ATOM 2146 OE1 GLU A 141 38.394 -34.773 18.169 1.00 0.00 O ATOM 2147 OE2 GLU A 141 39.840 -36.284 18.809 1.00 0.00 O ATOM 0 H GLU A 141 38.750 -36.337 13.213 1.00 0.00 H new ATOM 0 HA GLU A 141 40.827 -34.586 14.174 1.00 0.00 H new ATOM 0 HB2 GLU A 141 38.640 -35.115 15.329 1.00 0.00 H new ATOM 0 HB3 GLU A 141 39.252 -36.730 15.630 1.00 0.00 H new ATOM 0 HG2 GLU A 141 41.212 -35.692 16.833 1.00 0.00 H new ATOM 0 HG3 GLU A 141 40.446 -34.128 16.639 1.00 0.00 H new ATOM 2154 N VAL A 142 42.701 -36.161 14.831 1.00 0.00 N ATOM 2155 CA VAL A 142 43.881 -37.004 14.915 1.00 0.00 C ATOM 2156 C VAL A 142 43.921 -37.776 16.230 1.00 0.00 C ATOM 2157 O VAL A 142 44.193 -37.165 17.284 1.00 0.00 O ATOM 2158 CB VAL A 142 45.178 -36.184 14.734 1.00 0.00 C ATOM 2159 CG1 VAL A 142 45.400 -35.876 13.263 1.00 0.00 C ATOM 2160 CG2 VAL A 142 45.123 -34.891 15.538 1.00 0.00 C ATOM 2161 OXT VAL A 142 43.675 -39.001 16.202 1.00 0.00 O ATOM 0 H VAL A 142 42.827 -35.223 15.210 1.00 0.00 H new ATOM 0 HA VAL A 142 43.818 -37.723 14.098 1.00 0.00 H new ATOM 0 HB VAL A 142 46.012 -36.780 15.104 1.00 0.00 H new ATOM 0 HG11 VAL A 142 46.317 -35.298 13.147 1.00 0.00 H new ATOM 0 HG12 VAL A 142 45.486 -36.808 12.705 1.00 0.00 H new ATOM 0 HG13 VAL A 142 44.557 -35.301 12.881 1.00 0.00 H new ATOM 0 HG21 VAL A 142 46.048 -34.333 15.393 1.00 0.00 H new ATOM 0 HG22 VAL A 142 44.279 -34.289 15.201 1.00 0.00 H new ATOM 0 HG23 VAL A 142 45.003 -35.125 16.596 1.00 0.00 H new TER 2171 VAL A 142