USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 774 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 81 LYS NZ :NH3+ -128:sc= -4.94! (180deg=-6.08!) USER MOD Set 1.2: A 93 TYR OH : rot 61:sc= -5.29! USER MOD Set 1.3: A 94 HIS : no HD1:sc= -37.5! C(o=-48!,f=-38!) USER MOD Set 2.1: A 44 THR OG1 : rot 55:sc= -1.24! USER MOD Set 2.2: A 46 THR OG1 : rot 71:sc= -2.2! USER MOD Set 2.3: A 65 HIS : no HE2:sc= -24.8! C(o=-28!,f=-41!) USER MOD Set 3.1: A 28 THR OG1 : rot -33:sc= -4.71! USER MOD Set 3.2: A 30 LYS NZ :NH3+ -111:sc= -18.7! (180deg=-24.7!) USER MOD Set 4.1: A 13 ASN : amide:sc= -21.9! C(o=-61!,f=-56!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ -106:sc= -1.5! (180deg=-4.41!) USER MOD Set 4.3: A 35 MET CE :methyl 175:sc= -38! (180deg=-31.1!) USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.213 USER MOD Single : A 9 TYR OH : rot 165:sc= -2.31! USER MOD Single : A 12 TYR OH : rot 40:sc= -1.1 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.122 (180deg=-0.631) USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.378) USER MOD Single : A 39 SER OG : rot 178:sc= -0.643! USER MOD Single : A 41 THR OG1 : rot -172:sc= -8.2! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 45:sc= -14.4! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= -3.69! (180deg=-5.28!) USER MOD Single : A 63 HIS : no HD1:sc= -7! K(o=-7!,f=-1.5) USER MOD Single : A 64 TYR OH : rot -43:sc= -10.8! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 165:sc= -2.81! USER MOD Single : A 82 TYR OH : rot 30:sc= -0.19 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -7.55! C(o=-7.5!,f=-2.9!) USER MOD Single : A 95 GLN : amide:sc= -21.1! C(o=-21!,f=-16!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.49) USER MOD Single : A 103 THR OG1 : rot 38:sc= -3! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -47:sc= 0.508! USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -7.203 8.355 5.324 1.00 0.00 N ATOM 36 CA LEU A 6 -6.001 7.671 5.790 1.00 0.00 C ATOM 37 C LEU A 6 -5.205 8.548 6.748 1.00 0.00 C ATOM 38 O LEU A 6 -5.599 8.755 7.896 1.00 0.00 O ATOM 39 CB LEU A 6 -5.119 7.278 4.604 1.00 0.00 C ATOM 40 CG LEU A 6 -5.806 6.441 3.526 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.792 5.546 2.834 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.929 5.613 4.127 1.00 0.00 C ATOM 0 HA LEU A 6 -6.315 6.773 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.733 8.187 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.260 6.722 4.980 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.239 7.113 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.292 4.954 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.020 6.161 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.335 4.880 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.406 5.024 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.522 4.945 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.665 6.275 4.583 1.00 0.00 H new ATOM 54 N GLU A 7 -4.080 9.060 6.263 1.00 0.00 N ATOM 55 CA GLU A 7 -3.216 9.916 7.063 1.00 0.00 C ATOM 56 C GLU A 7 -3.212 9.480 8.520 1.00 0.00 C ATOM 57 O GLU A 7 -4.047 9.910 9.313 1.00 0.00 O ATOM 58 CB GLU A 7 -3.663 11.372 6.953 1.00 0.00 C ATOM 59 CG GLU A 7 -5.160 11.523 6.758 1.00 0.00 C ATOM 60 CD GLU A 7 -5.528 12.801 6.030 1.00 0.00 C ATOM 61 OE1 GLU A 7 -5.012 13.018 4.914 1.00 0.00 O ATOM 62 OE2 GLU A 7 -6.334 13.584 6.576 1.00 0.00 O ATOM 0 H GLU A 7 -3.744 8.895 5.314 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.201 9.825 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.365 11.906 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.145 11.843 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.537 10.668 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.652 11.509 7.730 1.00 0.00 H new ATOM 69 N THR A 8 -2.259 8.621 8.858 1.00 0.00 N ATOM 70 CA THR A 8 -2.124 8.112 10.216 1.00 0.00 C ATOM 71 C THR A 8 -1.487 6.727 10.212 1.00 0.00 C ATOM 72 O THR A 8 -1.053 6.230 11.252 1.00 0.00 O ATOM 73 CB THR A 8 -3.489 8.055 10.900 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.368 7.554 12.220 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.489 7.186 10.168 1.00 0.00 C ATOM 0 H THR A 8 -1.564 8.260 8.205 1.00 0.00 H new ATOM 0 HA THR A 8 -1.477 8.791 10.771 1.00 0.00 H new ATOM 0 HB THR A 8 -3.856 9.081 10.900 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.616 6.927 12.264 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.437 7.189 10.707 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.642 7.576 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.109 6.166 10.108 1.00 0.00 H new ATOM 83 N TYR A 9 -1.439 6.105 9.038 1.00 0.00 N ATOM 84 CA TYR A 9 -0.860 4.775 8.905 1.00 0.00 C ATOM 85 C TYR A 9 0.600 4.843 8.510 1.00 0.00 C ATOM 86 O TYR A 9 0.957 5.490 7.526 1.00 0.00 O ATOM 87 CB TYR A 9 -1.624 3.970 7.866 1.00 0.00 C ATOM 88 CG TYR A 9 -3.100 3.957 8.142 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.628 3.105 9.097 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.961 4.815 7.471 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.975 3.101 9.379 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.314 4.815 7.746 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.816 3.956 8.702 1.00 0.00 C ATOM 94 OH TYR A 9 -7.164 3.956 8.981 1.00 0.00 O ATOM 0 H TYR A 9 -1.794 6.501 8.167 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.933 4.287 9.877 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.443 4.390 6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.248 2.947 7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.972 2.432 9.629 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.568 5.490 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.371 2.431 10.128 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.976 5.484 7.216 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.576 4.762 8.606 1.00 0.00 H new ATOM 104 N GLU A 10 1.440 4.154 9.262 1.00 0.00 N ATOM 105 CA GLU A 10 2.856 4.128 8.955 1.00 0.00 C ATOM 106 C GLU A 10 3.037 3.987 7.458 1.00 0.00 C ATOM 107 O GLU A 10 4.032 4.429 6.896 1.00 0.00 O ATOM 108 CB GLU A 10 3.539 2.955 9.652 1.00 0.00 C ATOM 109 CG GLU A 10 2.565 1.937 10.196 1.00 0.00 C ATOM 110 CD GLU A 10 3.237 0.874 11.043 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.456 0.662 10.871 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.546 0.254 11.879 1.00 0.00 O ATOM 0 H GLU A 10 1.168 3.611 10.081 1.00 0.00 H new ATOM 0 HA GLU A 10 3.307 5.056 9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.212 2.465 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.153 3.334 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.810 2.447 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.045 1.459 9.366 1.00 0.00 H new ATOM 119 N TRP A 11 2.067 3.331 6.827 1.00 0.00 N ATOM 120 CA TRP A 11 2.115 3.080 5.400 1.00 0.00 C ATOM 121 C TRP A 11 1.616 4.250 4.556 1.00 0.00 C ATOM 122 O TRP A 11 2.026 4.397 3.407 1.00 0.00 O ATOM 123 CB TRP A 11 1.292 1.841 5.079 1.00 0.00 C ATOM 124 CG TRP A 11 -0.016 1.752 5.823 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.266 1.102 7.003 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.269 2.302 5.405 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.599 1.209 7.330 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.232 1.947 6.365 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.668 3.063 4.310 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.567 2.323 6.257 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.991 3.438 4.201 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.930 3.067 5.169 1.00 0.00 C ATOM 0 H TRP A 11 1.236 2.964 7.290 1.00 0.00 H new ATOM 0 HA TRP A 11 3.164 2.934 5.143 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.089 1.822 4.008 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.886 0.956 5.306 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.475 0.581 7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.042 0.805 8.155 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.952 3.356 3.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.291 2.037 7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.307 4.028 3.354 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.959 3.373 5.055 1.00 0.00 H new ATOM 143 N TYR A 12 0.713 5.062 5.091 1.00 0.00 N ATOM 144 CA TYR A 12 0.177 6.174 4.313 1.00 0.00 C ATOM 145 C TYR A 12 1.181 7.298 4.122 1.00 0.00 C ATOM 146 O TYR A 12 1.860 7.719 5.058 1.00 0.00 O ATOM 147 CB TYR A 12 -1.096 6.737 4.936 1.00 0.00 C ATOM 148 CG TYR A 12 -1.897 7.567 3.956 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.478 6.978 2.841 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.067 8.935 4.138 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.208 7.725 1.936 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.796 9.689 3.238 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.365 9.080 2.140 1.00 0.00 C ATOM 154 OH TYR A 12 -4.091 9.827 1.242 1.00 0.00 O ATOM 0 H TYR A 12 0.343 4.977 6.038 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.055 5.757 3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.712 5.916 5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.835 7.349 5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.357 5.917 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.622 9.416 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.653 7.250 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.919 10.751 3.394 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.876 9.317 0.952 1.00 0.00 H new ATOM 164 N ASN A 13 1.237 7.791 2.892 1.00 0.00 N ATOM 165 CA ASN A 13 2.120 8.892 2.533 1.00 0.00 C ATOM 166 C ASN A 13 1.398 9.850 1.592 1.00 0.00 C ATOM 167 O ASN A 13 1.319 9.615 0.388 1.00 0.00 O ATOM 168 CB ASN A 13 3.400 8.370 1.883 1.00 0.00 C ATOM 169 CG ASN A 13 4.590 8.479 2.818 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.575 9.261 3.767 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.628 7.695 2.556 1.00 0.00 N ATOM 0 H ASN A 13 0.674 7.440 2.117 1.00 0.00 H new ATOM 0 HA ASN A 13 2.396 9.428 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.261 7.329 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.601 8.933 0.971 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.455 7.727 3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.599 7.060 1.758 1.00 0.00 H new ATOM 178 N LYS A 14 0.848 10.919 2.159 1.00 0.00 N ATOM 179 CA LYS A 14 0.106 11.903 1.381 1.00 0.00 C ATOM 180 C LYS A 14 0.994 12.615 0.362 1.00 0.00 C ATOM 181 O LYS A 14 2.206 12.727 0.542 1.00 0.00 O ATOM 182 CB LYS A 14 -0.539 12.934 2.309 1.00 0.00 C ATOM 183 CG LYS A 14 0.462 13.870 2.967 1.00 0.00 C ATOM 184 CD LYS A 14 1.547 13.100 3.701 1.00 0.00 C ATOM 185 CE LYS A 14 0.982 12.332 4.885 1.00 0.00 C ATOM 186 NZ LYS A 14 1.715 11.058 5.123 1.00 0.00 N ATOM 0 H LYS A 14 0.903 11.126 3.156 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.668 11.365 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.256 13.525 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.100 12.412 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.917 14.508 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.057 14.525 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.031 12.406 3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.314 13.792 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.035 12.953 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.072 12.117 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.129 10.257 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.606 11.064 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.923 10.961 6.137 1.00 0.00 H new ATOM 200 N SER A 15 0.365 13.107 -0.704 1.00 0.00 N ATOM 201 CA SER A 15 1.068 13.832 -1.764 1.00 0.00 C ATOM 202 C SER A 15 2.285 13.066 -2.282 1.00 0.00 C ATOM 203 O SER A 15 3.059 13.591 -3.081 1.00 0.00 O ATOM 204 CB SER A 15 1.503 15.208 -1.258 1.00 0.00 C ATOM 205 OG SER A 15 0.781 16.241 -1.906 1.00 0.00 O ATOM 0 H SER A 15 -0.639 13.016 -0.858 1.00 0.00 H new ATOM 0 HA SER A 15 0.371 13.944 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.345 15.270 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.571 15.342 -1.432 1.00 0.00 H new ATOM 0 HG SER A 15 1.076 17.111 -1.564 1.00 0.00 H new ATOM 211 N ILE A 16 2.461 11.834 -1.819 1.00 0.00 N ATOM 212 CA ILE A 16 3.589 11.019 -2.232 1.00 0.00 C ATOM 213 C ILE A 16 3.599 10.732 -3.726 1.00 0.00 C ATOM 214 O ILE A 16 2.590 10.871 -4.416 1.00 0.00 O ATOM 215 CB ILE A 16 3.591 9.675 -1.501 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.821 9.567 -0.621 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.545 8.528 -2.501 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.335 8.151 -0.488 1.00 0.00 C ATOM 0 H ILE A 16 1.833 11.380 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 16 4.475 11.601 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 16 2.704 9.614 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.610 10.196 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.586 9.956 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.547 7.578 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.638 8.605 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.417 8.579 -3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.216 8.142 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.560 7.522 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.600 7.766 -1.473 1.00 0.00 H new ATOM 230 N SER A 17 4.760 10.293 -4.196 1.00 0.00 N ATOM 231 CA SER A 17 4.953 9.929 -5.590 1.00 0.00 C ATOM 232 C SER A 17 5.502 8.509 -5.670 1.00 0.00 C ATOM 233 O SER A 17 5.655 7.840 -4.647 1.00 0.00 O ATOM 234 CB SER A 17 5.911 10.906 -6.272 1.00 0.00 C ATOM 235 OG SER A 17 5.506 11.170 -7.604 1.00 0.00 O ATOM 0 H SER A 17 5.594 10.180 -3.619 1.00 0.00 H new ATOM 0 HA SER A 17 3.994 9.976 -6.107 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.948 11.838 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.920 10.493 -6.270 1.00 0.00 H new ATOM 0 HG SER A 17 6.133 11.799 -8.018 1.00 0.00 H new ATOM 241 N ARG A 18 5.804 8.049 -6.875 1.00 0.00 N ATOM 242 CA ARG A 18 6.342 6.706 -7.055 1.00 0.00 C ATOM 243 C ARG A 18 7.802 6.635 -6.610 1.00 0.00 C ATOM 244 O ARG A 18 8.254 5.614 -6.090 1.00 0.00 O ATOM 245 CB ARG A 18 6.220 6.275 -8.518 1.00 0.00 C ATOM 246 CG ARG A 18 6.687 7.333 -9.506 1.00 0.00 C ATOM 247 CD ARG A 18 5.775 7.403 -10.720 1.00 0.00 C ATOM 248 NE ARG A 18 6.349 6.721 -11.875 1.00 0.00 N ATOM 249 CZ ARG A 18 7.567 6.970 -12.347 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.332 7.882 -11.764 1.00 0.00 N ATOM 251 NH2 ARG A 18 8.019 6.308 -13.403 1.00 0.00 N ATOM 0 H ARG A 18 5.687 8.580 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 18 5.760 6.025 -6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.802 5.366 -8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.180 6.027 -8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.714 8.305 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.705 7.109 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.812 6.955 -10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.586 8.447 -10.972 1.00 0.00 H new ATOM 0 HE ARG A 18 5.785 6.014 -12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.987 8.394 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.266 8.072 -12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.432 5.606 -13.855 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.953 6.500 -13.764 1.00 0.00 H new ATOM 265 N ASP A 19 8.536 7.720 -6.833 1.00 0.00 N ATOM 266 CA ASP A 19 9.952 7.783 -6.475 1.00 0.00 C ATOM 267 C ASP A 19 10.170 7.910 -4.966 1.00 0.00 C ATOM 268 O ASP A 19 11.020 7.225 -4.399 1.00 0.00 O ATOM 269 CB ASP A 19 10.620 8.957 -7.192 1.00 0.00 C ATOM 270 CG ASP A 19 10.501 8.858 -8.700 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.292 8.107 -9.310 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.618 9.531 -9.271 1.00 0.00 O ATOM 0 H ASP A 19 8.174 8.572 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 19 10.405 6.844 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.167 9.890 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.674 8.996 -6.915 1.00 0.00 H new ATOM 277 N LYS A 20 9.422 8.803 -4.322 1.00 0.00 N ATOM 278 CA LYS A 20 9.570 9.025 -2.885 1.00 0.00 C ATOM 279 C LYS A 20 9.312 7.752 -2.086 1.00 0.00 C ATOM 280 O LYS A 20 10.132 7.353 -1.250 1.00 0.00 O ATOM 281 CB LYS A 20 8.621 10.129 -2.417 1.00 0.00 C ATOM 282 CG LYS A 20 8.637 11.357 -3.310 1.00 0.00 C ATOM 283 CD LYS A 20 7.391 11.426 -4.175 1.00 0.00 C ATOM 284 CE LYS A 20 6.311 12.276 -3.527 1.00 0.00 C ATOM 285 NZ LYS A 20 6.725 13.700 -3.402 1.00 0.00 N ATOM 0 H LYS A 20 8.711 9.382 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 20 10.601 9.331 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.607 9.732 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.890 10.423 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.706 12.255 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.523 11.336 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.646 11.841 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.010 10.419 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.397 12.214 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.079 11.877 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.882 14.309 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.233 13.836 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.349 13.951 -4.195 1.00 0.00 H new ATOM 299 N ALA A 21 8.175 7.110 -2.341 1.00 0.00 N ATOM 300 CA ALA A 21 7.843 5.887 -1.629 1.00 0.00 C ATOM 301 C ALA A 21 8.996 4.893 -1.738 1.00 0.00 C ATOM 302 O ALA A 21 9.474 4.368 -0.730 1.00 0.00 O ATOM 303 CB ALA A 21 6.528 5.300 -2.124 1.00 0.00 C ATOM 0 H ALA A 21 7.481 7.412 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 21 7.700 6.120 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.307 4.386 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.726 6.021 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.609 5.072 -3.187 1.00 0.00 H new ATOM 309 N GLU A 22 9.482 4.666 -2.953 1.00 0.00 N ATOM 310 CA GLU A 22 10.610 3.768 -3.141 1.00 0.00 C ATOM 311 C GLU A 22 11.763 4.246 -2.273 1.00 0.00 C ATOM 312 O GLU A 22 12.391 3.461 -1.554 1.00 0.00 O ATOM 313 CB GLU A 22 11.044 3.735 -4.608 1.00 0.00 C ATOM 314 CG GLU A 22 9.931 3.358 -5.569 1.00 0.00 C ATOM 315 CD GLU A 22 10.202 3.820 -6.987 1.00 0.00 C ATOM 316 OE1 GLU A 22 9.976 5.013 -7.276 1.00 0.00 O ATOM 317 OE2 GLU A 22 10.643 2.988 -7.809 1.00 0.00 O ATOM 0 H GLU A 22 9.118 5.085 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 22 10.315 2.759 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.433 4.715 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.863 3.024 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.802 2.276 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.994 3.793 -5.222 1.00 0.00 H new ATOM 324 N LYS A 23 12.014 5.553 -2.324 1.00 0.00 N ATOM 325 CA LYS A 23 13.064 6.157 -1.524 1.00 0.00 C ATOM 326 C LYS A 23 12.831 5.819 -0.062 1.00 0.00 C ATOM 327 O LYS A 23 13.719 5.307 0.618 1.00 0.00 O ATOM 328 CB LYS A 23 13.087 7.675 -1.721 1.00 0.00 C ATOM 329 CG LYS A 23 12.620 8.454 -0.503 1.00 0.00 C ATOM 330 CD LYS A 23 13.155 9.876 -0.512 1.00 0.00 C ATOM 331 CE LYS A 23 12.409 10.759 0.477 1.00 0.00 C ATOM 332 NZ LYS A 23 11.279 11.482 -0.167 1.00 0.00 N ATOM 0 H LYS A 23 11.501 6.209 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 23 14.029 5.762 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.101 7.985 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.455 7.932 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.530 8.474 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.950 7.946 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.217 9.868 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.064 10.294 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.029 10.147 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.100 11.480 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.518 12.490 -0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.105 11.083 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.424 11.379 0.416 1.00 0.00 H new ATOM 346 N LEU A 24 11.614 6.084 0.413 1.00 0.00 N ATOM 347 CA LEU A 24 11.268 5.769 1.793 1.00 0.00 C ATOM 348 C LEU A 24 11.388 4.269 2.018 1.00 0.00 C ATOM 349 O LEU A 24 11.848 3.819 3.067 1.00 0.00 O ATOM 350 CB LEU A 24 9.848 6.233 2.130 1.00 0.00 C ATOM 351 CG LEU A 24 8.834 6.117 0.992 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.149 4.755 1.008 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.808 7.234 1.089 1.00 0.00 C ATOM 0 H LEU A 24 10.863 6.510 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 24 11.960 6.298 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.485 5.652 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.891 7.274 2.452 1.00 0.00 H new ATOM 0 HG LEU A 24 9.367 6.212 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.433 4.698 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.897 3.970 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.627 4.621 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.091 7.141 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.284 7.165 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.312 8.198 1.021 1.00 0.00 H new ATOM 365 N LEU A 25 10.981 3.501 1.012 1.00 0.00 N ATOM 366 CA LEU A 25 11.051 2.047 1.082 1.00 0.00 C ATOM 367 C LEU A 25 12.495 1.591 1.230 1.00 0.00 C ATOM 368 O LEU A 25 12.843 0.895 2.184 1.00 0.00 O ATOM 369 CB LEU A 25 10.440 1.424 -0.173 1.00 0.00 C ATOM 370 CG LEU A 25 8.936 1.174 -0.102 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.459 1.197 1.340 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.199 2.200 -0.943 1.00 0.00 C ATOM 0 H LEU A 25 10.599 3.863 0.138 1.00 0.00 H new ATOM 0 HA LEU A 25 10.485 1.719 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.645 2.077 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.942 0.477 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 25 8.721 0.184 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.384 1.017 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.973 0.420 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.676 2.170 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.126 2.014 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.414 3.200 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.526 2.123 -1.980 1.00 0.00 H new ATOM 384 N LEU A 26 13.334 1.990 0.279 1.00 0.00 N ATOM 385 CA LEU A 26 14.744 1.622 0.308 1.00 0.00 C ATOM 386 C LEU A 26 15.369 1.991 1.649 1.00 0.00 C ATOM 387 O LEU A 26 16.370 1.406 2.063 1.00 0.00 O ATOM 388 CB LEU A 26 15.497 2.316 -0.828 1.00 0.00 C ATOM 389 CG LEU A 26 16.255 1.379 -1.771 1.00 0.00 C ATOM 390 CD1 LEU A 26 17.253 0.534 -0.995 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.281 0.492 -2.532 1.00 0.00 C ATOM 0 H LEU A 26 13.063 2.566 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 26 14.818 0.543 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.785 2.897 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.206 3.022 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 26 16.806 1.984 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.783 -0.126 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.969 1.185 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.724 -0.064 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.835 -0.169 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.705 -0.105 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.604 1.114 -3.118 1.00 0.00 H new ATOM 403 N ASP A 27 14.771 2.967 2.323 1.00 0.00 N ATOM 404 CA ASP A 27 15.264 3.423 3.616 1.00 0.00 C ATOM 405 C ASP A 27 14.838 2.480 4.739 1.00 0.00 C ATOM 406 O ASP A 27 15.605 2.221 5.667 1.00 0.00 O ATOM 407 CB ASP A 27 14.762 4.837 3.907 1.00 0.00 C ATOM 408 CG ASP A 27 15.411 5.442 5.136 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.657 5.418 5.221 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.675 5.939 6.013 1.00 0.00 O ATOM 0 H ASP A 27 13.941 3.459 1.993 1.00 0.00 H new ATOM 0 HA ASP A 27 16.353 3.429 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.960 5.474 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.681 4.814 4.045 1.00 0.00 H new ATOM 415 N THR A 28 13.609 1.977 4.658 1.00 0.00 N ATOM 416 CA THR A 28 13.090 1.074 5.681 1.00 0.00 C ATOM 417 C THR A 28 13.669 -0.331 5.523 1.00 0.00 C ATOM 418 O THR A 28 14.267 -0.869 6.453 1.00 0.00 O ATOM 419 CB THR A 28 11.565 1.032 5.613 1.00 0.00 C ATOM 420 OG1 THR A 28 11.129 0.582 4.343 1.00 0.00 O ATOM 421 CG2 THR A 28 10.922 2.374 5.868 1.00 0.00 C ATOM 0 H THR A 28 12.957 2.178 3.899 1.00 0.00 H new ATOM 0 HA THR A 28 13.394 1.452 6.657 1.00 0.00 H new ATOM 0 HB THR A 28 11.260 0.342 6.400 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.760 0.881 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.838 2.276 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.198 2.727 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.265 3.090 5.121 1.00 0.00 H new ATOM 429 N GLY A 29 13.515 -0.911 4.335 1.00 0.00 N ATOM 430 CA GLY A 29 14.063 -2.236 4.085 1.00 0.00 C ATOM 431 C GLY A 29 13.108 -3.380 4.399 1.00 0.00 C ATOM 432 O GLY A 29 13.018 -4.339 3.633 1.00 0.00 O ATOM 0 H GLY A 29 13.024 -0.492 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.359 -2.302 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.968 -2.360 4.680 1.00 0.00 H new ATOM 436 N LYS A 30 12.411 -3.305 5.527 1.00 0.00 N ATOM 437 CA LYS A 30 11.490 -4.378 5.909 1.00 0.00 C ATOM 438 C LYS A 30 10.916 -5.068 4.678 1.00 0.00 C ATOM 439 O LYS A 30 9.951 -4.588 4.084 1.00 0.00 O ATOM 440 CB LYS A 30 10.336 -3.855 6.771 1.00 0.00 C ATOM 441 CG LYS A 30 10.744 -2.813 7.793 1.00 0.00 C ATOM 442 CD LYS A 30 11.095 -1.486 7.143 1.00 0.00 C ATOM 443 CE LYS A 30 10.765 -1.474 5.657 1.00 0.00 C ATOM 444 NZ LYS A 30 9.564 -0.646 5.365 1.00 0.00 N ATOM 0 H LYS A 30 12.461 -2.528 6.186 1.00 0.00 H new ATOM 0 HA LYS A 30 12.068 -5.094 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.575 -3.428 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.876 -4.696 7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.931 -2.665 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.601 -3.177 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.552 -0.683 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.157 -1.285 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.618 -1.088 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.595 -2.495 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.781 -1.263 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.287 -0.122 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.783 0.027 4.603 1.00 0.00 H new ATOM 458 N GLU A 31 11.506 -6.196 4.298 1.00 0.00 N ATOM 459 CA GLU A 31 11.030 -6.939 3.140 1.00 0.00 C ATOM 460 C GLU A 31 9.514 -6.857 3.067 1.00 0.00 C ATOM 461 O GLU A 31 8.811 -7.438 3.893 1.00 0.00 O ATOM 462 CB GLU A 31 11.470 -8.403 3.223 1.00 0.00 C ATOM 463 CG GLU A 31 10.947 -9.261 2.084 1.00 0.00 C ATOM 464 CD GLU A 31 11.702 -10.569 1.945 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.361 -10.981 2.923 1.00 0.00 O ATOM 466 OE2 GLU A 31 11.632 -11.183 0.860 1.00 0.00 O ATOM 0 H GLU A 31 12.308 -6.612 4.771 1.00 0.00 H new ATOM 0 HA GLU A 31 11.460 -6.499 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.559 -8.446 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.129 -8.823 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.890 -9.471 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.020 -8.703 1.151 1.00 0.00 H new ATOM 473 N GLY A 32 9.019 -6.117 2.089 1.00 0.00 N ATOM 474 CA GLY A 32 7.593 -5.949 1.941 1.00 0.00 C ATOM 475 C GLY A 32 7.135 -4.631 2.524 1.00 0.00 C ATOM 476 O GLY A 32 5.950 -4.444 2.803 1.00 0.00 O ATOM 0 H GLY A 32 9.583 -5.629 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.326 -5.995 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.074 -6.769 2.437 1.00 0.00 H new ATOM 480 N ALA A 33 8.080 -3.707 2.702 1.00 0.00 N ATOM 481 CA ALA A 33 7.760 -2.397 3.247 1.00 0.00 C ATOM 482 C ALA A 33 6.481 -1.888 2.613 1.00 0.00 C ATOM 483 O ALA A 33 6.415 -1.727 1.396 1.00 0.00 O ATOM 484 CB ALA A 33 8.897 -1.425 2.993 1.00 0.00 C ATOM 0 H ALA A 33 9.065 -3.844 2.477 1.00 0.00 H new ATOM 0 HA ALA A 33 7.619 -2.482 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.641 -0.450 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.805 -1.795 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.063 -1.331 1.920 1.00 0.00 H new ATOM 490 N PHE A 34 5.455 -1.661 3.423 1.00 0.00 N ATOM 491 CA PHE A 34 4.180 -1.204 2.893 1.00 0.00 C ATOM 492 C PHE A 34 3.966 0.289 3.066 1.00 0.00 C ATOM 493 O PHE A 34 4.133 0.837 4.148 1.00 0.00 O ATOM 494 CB PHE A 34 3.023 -1.937 3.549 1.00 0.00 C ATOM 495 CG PHE A 34 1.728 -1.204 3.377 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.227 -0.954 2.114 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.012 -0.763 4.467 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.037 -0.274 1.948 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.167 -0.090 4.305 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.660 0.161 3.048 1.00 0.00 C ATOM 0 H PHE A 34 5.480 -1.784 4.435 1.00 0.00 H new ATOM 0 HA PHE A 34 4.211 -1.423 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.935 -2.935 3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.230 -2.064 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.773 -1.294 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.386 -0.951 5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.345 -0.085 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.715 0.247 5.172 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.590 0.697 2.926 1.00 0.00 H new ATOM 510 N MET A 35 3.562 0.931 1.986 1.00 0.00 N ATOM 511 CA MET A 35 3.286 2.355 2.001 1.00 0.00 C ATOM 512 C MET A 35 2.026 2.641 1.198 1.00 0.00 C ATOM 513 O MET A 35 1.551 1.780 0.460 1.00 0.00 O ATOM 514 CB MET A 35 4.474 3.118 1.425 1.00 0.00 C ATOM 515 CG MET A 35 4.185 4.573 1.119 1.00 0.00 C ATOM 516 SD MET A 35 4.064 5.566 2.610 1.00 0.00 S ATOM 517 CE MET A 35 5.733 5.390 3.213 1.00 0.00 C ATOM 0 H MET A 35 3.417 0.484 1.081 1.00 0.00 H new ATOM 0 HA MET A 35 3.128 2.684 3.028 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.303 3.064 2.130 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.801 2.623 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.973 4.972 0.481 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.253 4.647 0.558 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.870 6.017 4.094 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.917 4.349 3.477 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.434 5.697 2.437 1.00 0.00 H new ATOM 527 N VAL A 36 1.485 3.842 1.335 1.00 0.00 N ATOM 528 CA VAL A 36 0.280 4.209 0.602 1.00 0.00 C ATOM 529 C VAL A 36 0.352 5.643 0.105 1.00 0.00 C ATOM 530 O VAL A 36 0.995 6.494 0.719 1.00 0.00 O ATOM 531 CB VAL A 36 -0.992 4.035 1.444 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.200 4.588 0.701 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.196 2.571 1.790 1.00 0.00 C ATOM 0 H VAL A 36 1.856 4.574 1.941 1.00 0.00 H new ATOM 0 HA VAL A 36 0.226 3.529 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.878 4.595 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.094 4.457 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.050 5.649 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.323 4.055 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.101 2.461 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.294 1.991 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.340 2.209 2.359 1.00 0.00 H new ATOM 543 N ARG A 37 -0.308 5.900 -1.014 1.00 0.00 N ATOM 544 CA ARG A 37 -0.313 7.230 -1.598 1.00 0.00 C ATOM 545 C ARG A 37 -1.625 7.495 -2.335 1.00 0.00 C ATOM 546 O ARG A 37 -2.075 6.678 -3.141 1.00 0.00 O ATOM 547 CB ARG A 37 0.888 7.384 -2.533 1.00 0.00 C ATOM 548 CG ARG A 37 0.533 7.382 -4.006 1.00 0.00 C ATOM 549 CD ARG A 37 1.553 6.591 -4.806 1.00 0.00 C ATOM 550 NE ARG A 37 1.622 7.032 -6.196 1.00 0.00 N ATOM 551 CZ ARG A 37 2.588 6.672 -7.035 1.00 0.00 C ATOM 552 NH1 ARG A 37 3.562 5.870 -6.624 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.582 7.114 -8.286 1.00 0.00 N ATOM 0 H ARG A 37 -0.845 5.206 -1.534 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.232 7.969 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.402 8.316 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.591 6.574 -2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.458 6.951 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.490 8.407 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.535 6.695 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.296 5.532 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 37 0.889 7.650 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.570 5.529 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.302 5.595 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.835 7.731 -8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.324 6.837 -8.928 1.00 0.00 H new ATOM 567 N ASP A 38 -2.239 8.635 -2.034 1.00 0.00 N ATOM 568 CA ASP A 38 -3.511 9.015 -2.644 1.00 0.00 C ATOM 569 C ASP A 38 -3.375 9.212 -4.151 1.00 0.00 C ATOM 570 O ASP A 38 -2.326 9.625 -4.644 1.00 0.00 O ATOM 571 CB ASP A 38 -4.043 10.296 -2.000 1.00 0.00 C ATOM 572 CG ASP A 38 -5.509 10.531 -2.308 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.364 10.028 -1.549 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.802 11.219 -3.308 1.00 0.00 O ATOM 0 H ASP A 38 -1.875 9.316 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.216 8.201 -2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.906 10.241 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.459 11.146 -2.353 1.00 0.00 H new ATOM 579 N SER A 39 -4.450 8.912 -4.874 1.00 0.00 N ATOM 580 CA SER A 39 -4.466 9.054 -6.323 1.00 0.00 C ATOM 581 C SER A 39 -5.348 10.227 -6.748 1.00 0.00 C ATOM 582 O SER A 39 -4.858 11.335 -6.970 1.00 0.00 O ATOM 583 CB SER A 39 -4.968 7.764 -6.975 1.00 0.00 C ATOM 584 OG SER A 39 -6.045 8.023 -7.858 1.00 0.00 O ATOM 0 H SER A 39 -5.324 8.568 -4.476 1.00 0.00 H new ATOM 0 HA SER A 39 -3.447 9.251 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.153 7.288 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.287 7.063 -6.203 1.00 0.00 H new ATOM 0 HG SER A 39 -6.321 7.188 -8.291 1.00 0.00 H new ATOM 590 N ARG A 40 -6.649 9.976 -6.860 1.00 0.00 N ATOM 591 CA ARG A 40 -7.600 11.009 -7.258 1.00 0.00 C ATOM 592 C ARG A 40 -8.819 10.391 -7.937 1.00 0.00 C ATOM 593 O ARG A 40 -9.937 10.888 -7.804 1.00 0.00 O ATOM 594 CB ARG A 40 -6.931 12.012 -8.200 1.00 0.00 C ATOM 595 CG ARG A 40 -7.840 12.500 -9.316 1.00 0.00 C ATOM 596 CD ARG A 40 -7.073 13.314 -10.345 1.00 0.00 C ATOM 597 NE ARG A 40 -5.651 12.983 -10.355 1.00 0.00 N ATOM 598 CZ ARG A 40 -4.782 13.439 -9.458 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.191 14.242 -8.485 1.00 0.00 N ATOM 600 NH2 ARG A 40 -3.504 13.093 -9.533 1.00 0.00 N ATOM 0 H ARG A 40 -7.070 9.064 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.931 11.530 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.589 12.869 -7.620 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.046 11.551 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.310 11.646 -9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.641 13.107 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.494 13.136 -11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.197 14.376 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.305 12.368 -11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.173 14.510 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.523 14.591 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.186 12.476 -10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.839 13.444 -8.844 1.00 0.00 H new ATOM 614 N THR A 41 -8.590 9.303 -8.663 1.00 0.00 N ATOM 615 CA THR A 41 -9.658 8.601 -9.367 1.00 0.00 C ATOM 616 C THR A 41 -10.847 8.345 -8.426 1.00 0.00 C ATOM 617 O THR A 41 -11.009 9.054 -7.433 1.00 0.00 O ATOM 618 CB THR A 41 -9.102 7.299 -9.946 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.821 6.905 -11.100 1.00 0.00 O ATOM 620 CG2 THR A 41 -9.113 6.149 -8.964 1.00 0.00 C ATOM 0 H THR A 41 -7.667 8.885 -8.780 1.00 0.00 H new ATOM 0 HA THR A 41 -10.027 9.216 -10.188 1.00 0.00 H new ATOM 0 HB THR A 41 -8.065 7.520 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.531 6.011 -11.377 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.705 5.258 -9.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.505 6.406 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.137 5.953 -8.645 1.00 0.00 H new ATOM 628 N PRO A 42 -11.707 7.346 -8.721 1.00 0.00 N ATOM 629 CA PRO A 42 -12.880 7.034 -7.895 1.00 0.00 C ATOM 630 C PRO A 42 -12.642 7.171 -6.388 1.00 0.00 C ATOM 631 O PRO A 42 -13.576 7.036 -5.597 1.00 0.00 O ATOM 632 CB PRO A 42 -13.167 5.586 -8.269 1.00 0.00 C ATOM 633 CG PRO A 42 -12.799 5.512 -9.710 1.00 0.00 C ATOM 634 CD PRO A 42 -11.629 6.448 -9.893 1.00 0.00 C ATOM 0 HA PRO A 42 -13.699 7.728 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.577 4.893 -7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.215 5.332 -8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.531 4.494 -9.992 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.637 5.807 -10.342 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.684 5.906 -9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.704 7.003 -10.828 1.00 0.00 H new ATOM 642 N GLY A 43 -11.405 7.450 -5.992 1.00 0.00 N ATOM 643 CA GLY A 43 -11.102 7.609 -4.581 1.00 0.00 C ATOM 644 C GLY A 43 -10.208 6.519 -4.038 1.00 0.00 C ATOM 645 O GLY A 43 -10.093 6.342 -2.825 1.00 0.00 O ATOM 0 H GLY A 43 -10.610 7.569 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.622 8.575 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.034 7.622 -4.015 1.00 0.00 H new ATOM 649 N THR A 44 -9.568 5.797 -4.938 1.00 0.00 N ATOM 650 CA THR A 44 -8.668 4.721 -4.557 1.00 0.00 C ATOM 651 C THR A 44 -7.330 5.276 -4.081 1.00 0.00 C ATOM 652 O THR A 44 -6.883 6.326 -4.544 1.00 0.00 O ATOM 653 CB THR A 44 -8.439 3.801 -5.750 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.109 3.312 -5.761 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.684 4.487 -7.072 1.00 0.00 C ATOM 0 H THR A 44 -9.655 5.936 -5.945 1.00 0.00 H new ATOM 0 HA THR A 44 -9.124 4.163 -3.739 1.00 0.00 H new ATOM 0 HB THR A 44 -9.154 2.986 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.912 2.879 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.506 3.784 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.715 4.837 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.008 5.336 -7.172 1.00 0.00 H new ATOM 663 N TYR A 45 -6.689 4.559 -3.167 1.00 0.00 N ATOM 664 CA TYR A 45 -5.395 4.975 -2.644 1.00 0.00 C ATOM 665 C TYR A 45 -4.291 4.074 -3.180 1.00 0.00 C ATOM 666 O TYR A 45 -4.550 2.955 -3.621 1.00 0.00 O ATOM 667 CB TYR A 45 -5.387 4.943 -1.120 1.00 0.00 C ATOM 668 CG TYR A 45 -6.439 5.821 -0.486 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.771 5.432 -0.459 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.100 7.043 0.084 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.737 6.233 0.118 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.060 7.850 0.663 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.377 7.441 0.678 1.00 0.00 C ATOM 674 OH TYR A 45 -9.336 8.242 1.253 1.00 0.00 O ATOM 0 H TYR A 45 -7.044 3.688 -2.773 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.215 5.999 -2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.536 3.916 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.405 5.255 -0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.057 4.487 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.070 7.366 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.769 5.915 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.781 8.796 1.102 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.916 9.056 1.602 1.00 0.00 H new ATOM 684 N THR A 46 -3.061 4.563 -3.142 1.00 0.00 N ATOM 685 CA THR A 46 -1.921 3.794 -3.625 1.00 0.00 C ATOM 686 C THR A 46 -1.182 3.144 -2.456 1.00 0.00 C ATOM 687 O THR A 46 -1.122 3.711 -1.367 1.00 0.00 O ATOM 688 CB THR A 46 -0.966 4.697 -4.406 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.688 5.614 -5.209 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.027 3.932 -5.313 1.00 0.00 C ATOM 0 H THR A 46 -2.825 5.488 -2.782 1.00 0.00 H new ATOM 0 HA THR A 46 -2.290 3.011 -4.287 1.00 0.00 H new ATOM 0 HB THR A 46 -0.374 5.214 -3.651 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.119 6.282 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.623 4.632 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.580 3.250 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.607 3.362 -6.039 1.00 0.00 H new ATOM 698 N VAL A 47 -0.605 1.965 -2.690 1.00 0.00 N ATOM 699 CA VAL A 47 0.147 1.265 -1.651 1.00 0.00 C ATOM 700 C VAL A 47 1.554 0.952 -2.129 1.00 0.00 C ATOM 701 O VAL A 47 1.751 0.152 -3.044 1.00 0.00 O ATOM 702 CB VAL A 47 -0.513 -0.051 -1.193 1.00 0.00 C ATOM 703 CG1 VAL A 47 -1.106 -0.797 -2.368 1.00 0.00 C ATOM 704 CG2 VAL A 47 0.508 -0.911 -0.452 1.00 0.00 C ATOM 0 H VAL A 47 -0.644 1.478 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 47 0.166 1.944 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.330 0.184 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.565 -1.721 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.862 -0.176 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.319 -1.032 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.037 -1.840 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.342 -1.138 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.875 -0.370 0.420 1.00 0.00 H new ATOM 714 N SER A 48 2.526 1.585 -1.497 1.00 0.00 N ATOM 715 CA SER A 48 3.921 1.378 -1.838 1.00 0.00 C ATOM 716 C SER A 48 4.500 0.232 -1.018 1.00 0.00 C ATOM 717 O SER A 48 4.672 0.351 0.196 1.00 0.00 O ATOM 718 CB SER A 48 4.718 2.661 -1.591 1.00 0.00 C ATOM 719 OG SER A 48 5.917 2.388 -0.894 1.00 0.00 O ATOM 0 H SER A 48 2.373 2.251 -0.740 1.00 0.00 H new ATOM 0 HA SER A 48 3.990 1.119 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.948 3.139 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.113 3.364 -1.019 1.00 0.00 H new ATOM 0 HG SER A 48 6.354 1.605 -1.289 1.00 0.00 H new ATOM 725 N VAL A 49 4.798 -0.878 -1.683 1.00 0.00 N ATOM 726 CA VAL A 49 5.356 -2.041 -1.009 1.00 0.00 C ATOM 727 C VAL A 49 6.803 -2.257 -1.453 1.00 0.00 C ATOM 728 O VAL A 49 7.099 -2.228 -2.650 1.00 0.00 O ATOM 729 CB VAL A 49 4.512 -3.299 -1.283 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.031 -3.011 -1.045 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.742 -3.796 -2.699 1.00 0.00 C ATOM 0 H VAL A 49 4.662 -0.996 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 49 5.339 -1.857 0.065 1.00 0.00 H new ATOM 0 HB VAL A 49 4.824 -4.082 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.449 -3.911 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.882 -2.703 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.704 -2.213 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.137 -4.686 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.458 -3.018 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.796 -4.041 -2.832 1.00 0.00 H new ATOM 741 N PHE A 50 7.711 -2.423 -0.491 1.00 0.00 N ATOM 742 CA PHE A 50 9.133 -2.583 -0.810 1.00 0.00 C ATOM 743 C PHE A 50 9.762 -3.829 -0.195 1.00 0.00 C ATOM 744 O PHE A 50 9.566 -4.134 0.986 1.00 0.00 O ATOM 745 CB PHE A 50 9.907 -1.348 -0.361 1.00 0.00 C ATOM 746 CG PHE A 50 11.339 -1.613 0.009 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.664 -2.455 1.064 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.365 -1.005 -0.697 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.983 -2.678 1.403 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.684 -1.229 -0.362 1.00 0.00 C ATOM 751 CZ PHE A 50 13.994 -2.065 0.690 1.00 0.00 C ATOM 0 H PHE A 50 7.493 -2.450 0.505 1.00 0.00 H new ATOM 0 HA PHE A 50 9.192 -2.704 -1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.882 -0.608 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.398 -0.907 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.878 -2.940 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.129 -0.347 -1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.225 -3.333 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.473 -0.750 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.026 -2.240 0.956 1.00 0.00 H new ATOM 761 N THR A 51 10.542 -4.528 -1.021 1.00 0.00 N ATOM 762 CA THR A 51 11.251 -5.732 -0.608 1.00 0.00 C ATOM 763 C THR A 51 12.737 -5.431 -0.421 1.00 0.00 C ATOM 764 O THR A 51 13.454 -5.205 -1.396 1.00 0.00 O ATOM 765 CB THR A 51 11.070 -6.821 -1.667 1.00 0.00 C ATOM 766 OG1 THR A 51 9.956 -7.641 -1.362 1.00 0.00 O ATOM 767 CG2 THR A 51 12.275 -7.725 -1.823 1.00 0.00 C ATOM 0 H THR A 51 10.698 -4.272 -1.996 1.00 0.00 H new ATOM 0 HA THR A 51 10.842 -6.078 0.341 1.00 0.00 H new ATOM 0 HB THR A 51 10.922 -6.282 -2.602 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.858 -8.329 -2.053 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.073 -8.472 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.141 -7.130 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.480 -8.225 -0.876 1.00 0.00 H new ATOM 899 N CYS A 60 12.722 -5.985 -4.903 1.00 0.00 N ATOM 900 CA CYS A 60 11.963 -5.125 -5.798 1.00 0.00 C ATOM 901 C CYS A 60 10.889 -4.347 -5.049 1.00 0.00 C ATOM 902 O CYS A 60 10.320 -4.838 -4.073 1.00 0.00 O ATOM 903 CB CYS A 60 11.312 -5.967 -6.893 1.00 0.00 C ATOM 904 SG CYS A 60 11.686 -5.415 -8.574 1.00 0.00 S ATOM 0 HA CYS A 60 12.655 -4.408 -6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.637 -7.001 -6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.231 -5.955 -6.751 1.00 0.00 H new ATOM 0 HG CYS A 60 11.091 -6.193 -9.429 1.00 0.00 H new ATOM 910 N ILE A 61 10.586 -3.149 -5.533 1.00 0.00 N ATOM 911 CA ILE A 61 9.547 -2.329 -4.930 1.00 0.00 C ATOM 912 C ILE A 61 8.275 -2.443 -5.743 1.00 0.00 C ATOM 913 O ILE A 61 8.320 -2.741 -6.936 1.00 0.00 O ATOM 914 CB ILE A 61 9.940 -0.846 -4.830 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.973 -0.656 -3.725 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.705 0.010 -4.570 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.370 -1.028 -4.152 1.00 0.00 C ATOM 0 H ILE A 61 11.045 -2.726 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 61 9.399 -2.701 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 61 10.381 -0.529 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.963 0.385 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.690 -1.260 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.997 1.058 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.996 -0.116 -5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.239 -0.299 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.058 -0.871 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.393 -2.077 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.670 -0.406 -4.995 1.00 0.00 H new ATOM 929 N LYS A 62 7.144 -2.218 -5.104 1.00 0.00 N ATOM 930 CA LYS A 62 5.872 -2.316 -5.803 1.00 0.00 C ATOM 931 C LYS A 62 4.840 -1.360 -5.243 1.00 0.00 C ATOM 932 O LYS A 62 4.493 -1.415 -4.063 1.00 0.00 O ATOM 933 CB LYS A 62 5.331 -3.743 -5.736 1.00 0.00 C ATOM 934 CG LYS A 62 6.368 -4.803 -6.048 1.00 0.00 C ATOM 935 CD LYS A 62 6.208 -5.335 -7.462 1.00 0.00 C ATOM 936 CE LYS A 62 5.453 -4.352 -8.345 1.00 0.00 C ATOM 937 NZ LYS A 62 3.984 -4.602 -8.329 1.00 0.00 N ATOM 0 H LYS A 62 7.076 -1.970 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 62 6.059 -2.043 -6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.929 -3.923 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.502 -3.841 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.367 -4.384 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.277 -5.624 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.190 -5.531 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.676 -6.286 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.651 -3.335 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.822 -4.426 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.603 -4.495 -9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.800 -5.567 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.522 -3.918 -7.696 1.00 0.00 H new ATOM 951 N HIS A 63 4.329 -0.503 -6.112 1.00 0.00 N ATOM 952 CA HIS A 63 3.308 0.444 -5.725 1.00 0.00 C ATOM 953 C HIS A 63 1.953 -0.073 -6.184 1.00 0.00 C ATOM 954 O HIS A 63 1.625 -0.012 -7.369 1.00 0.00 O ATOM 955 CB HIS A 63 3.593 1.807 -6.351 1.00 0.00 C ATOM 956 CG HIS A 63 5.051 2.075 -6.537 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.975 1.999 -5.522 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.745 2.412 -7.653 1.00 0.00 C ATOM 959 CE1 HIS A 63 7.176 2.287 -6.038 1.00 0.00 C ATOM 960 NE2 HIS A 63 7.092 2.545 -7.329 1.00 0.00 N ATOM 0 H HIS A 63 4.608 -0.447 -7.091 1.00 0.00 H new ATOM 0 HA HIS A 63 3.305 0.557 -4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.093 1.868 -7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.164 2.586 -5.721 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.320 2.554 -8.636 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.095 2.306 -5.471 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.856 2.791 -7.959 1.00 0.00 H new ATOM 968 N TYR A 64 1.174 -0.591 -5.247 1.00 0.00 N ATOM 969 CA TYR A 64 -0.138 -1.129 -5.573 1.00 0.00 C ATOM 970 C TYR A 64 -1.222 -0.110 -5.291 1.00 0.00 C ATOM 971 O TYR A 64 -1.239 0.510 -4.231 1.00 0.00 O ATOM 972 CB TYR A 64 -0.418 -2.392 -4.766 1.00 0.00 C ATOM 973 CG TYR A 64 0.766 -3.299 -4.650 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.418 -3.754 -5.779 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.227 -3.698 -3.408 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.505 -4.588 -5.680 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.319 -4.536 -3.294 1.00 0.00 C ATOM 978 CZ TYR A 64 2.956 -4.979 -4.437 1.00 0.00 C ATOM 979 OH TYR A 64 4.043 -5.817 -4.336 1.00 0.00 O ATOM 0 H TYR A 64 1.425 -0.650 -4.260 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.140 -1.371 -6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.749 -2.109 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.239 -2.937 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.068 -3.450 -6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.727 -3.350 -2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.004 -4.936 -6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.672 -4.842 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 64 3.968 -6.531 -5.003 1.00 0.00 H new ATOM 989 N HIS A 65 -2.147 0.053 -6.218 1.00 0.00 N ATOM 990 CA HIS A 65 -3.231 0.984 -5.997 1.00 0.00 C ATOM 991 C HIS A 65 -4.435 0.247 -5.466 1.00 0.00 C ATOM 992 O HIS A 65 -4.702 -0.890 -5.857 1.00 0.00 O ATOM 993 CB HIS A 65 -3.608 1.749 -7.256 1.00 0.00 C ATOM 994 CG HIS A 65 -3.915 3.172 -6.965 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.933 3.693 -5.701 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.221 4.187 -7.796 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.243 4.986 -5.796 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.429 5.341 -7.051 1.00 0.00 N ATOM 0 H HIS A 65 -2.169 -0.437 -7.112 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.886 1.716 -5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.790 1.693 -7.974 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.474 1.278 -7.722 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.743 3.183 -4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.293 4.115 -8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.330 5.656 -4.953 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.163 0.891 -4.577 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.339 0.269 -4.012 1.00 0.00 C ATOM 1008 C ILE A 66 -7.551 0.641 -4.839 1.00 0.00 C ATOM 1009 O ILE A 66 -8.059 1.755 -4.748 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.558 0.692 -2.543 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.249 1.188 -1.918 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.114 -0.468 -1.734 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.010 0.557 -2.510 1.00 0.00 C ATOM 0 H ILE A 66 -4.964 1.831 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.192 -0.811 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.279 1.509 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.187 2.270 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.270 0.988 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.262 -0.153 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.067 -0.783 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.411 -1.301 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.125 0.959 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.047 -0.523 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.962 0.779 -3.576 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.017 -0.304 -5.643 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.172 -0.077 -6.487 1.00 0.00 C ATOM 1027 C LYS A 67 -10.419 -0.009 -5.627 1.00 0.00 C ATOM 1028 O LYS A 67 -10.487 -0.671 -4.593 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.304 -1.187 -7.529 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.445 -0.969 -8.509 1.00 0.00 C ATOM 1031 CD LYS A 67 -10.353 0.391 -9.179 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.907 0.812 -9.388 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.331 0.223 -10.629 1.00 0.00 N ATOM 0 H LYS A 67 -7.609 -1.235 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.046 0.868 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.369 -1.266 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.452 -2.138 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.428 -1.751 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.397 -1.054 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.867 0.360 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.865 1.134 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.850 1.899 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.311 0.503 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.344 0.534 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.362 -0.815 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.884 0.538 -11.452 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.389 0.798 -6.050 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.631 0.964 -5.305 1.00 0.00 C ATOM 1049 C GLU A 68 -13.819 0.432 -6.101 1.00 0.00 C ATOM 1050 O GLU A 68 -13.912 0.645 -7.310 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.853 2.446 -4.979 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.702 3.087 -4.222 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.135 4.298 -3.418 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.191 4.879 -3.745 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.419 4.665 -2.465 1.00 0.00 O ATOM 0 H GLU A 68 -11.337 1.348 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.550 0.395 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.013 2.993 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.764 2.546 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.258 2.351 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.927 3.383 -4.929 1.00 0.00 H new ATOM 1062 N THR A 69 -14.726 -0.262 -5.418 1.00 0.00 N ATOM 1063 CA THR A 69 -15.903 -0.821 -6.069 1.00 0.00 C ATOM 1064 C THR A 69 -17.135 -0.660 -5.186 1.00 0.00 C ATOM 1065 O THR A 69 -17.435 -1.524 -4.362 1.00 0.00 O ATOM 1066 CB THR A 69 -15.680 -2.301 -6.387 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.807 -2.846 -7.051 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.420 -3.144 -5.158 1.00 0.00 C ATOM 0 H THR A 69 -14.667 -0.449 -4.417 1.00 0.00 H new ATOM 0 HA THR A 69 -16.068 -0.278 -6.999 1.00 0.00 H new ATOM 0 HB THR A 69 -14.795 -2.330 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.645 -3.792 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 69 -15.270 -4.182 -5.454 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.528 -2.780 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.274 -3.078 -4.484 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.468 -4.414 0.067 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.260 -3.595 0.060 1.00 0.00 C ATOM 1129 C LYS A 74 -16.128 -2.802 -1.231 1.00 0.00 C ATOM 1130 O LYS A 74 -16.940 -2.941 -2.145 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.031 -4.469 0.278 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.339 -5.957 0.276 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.131 -6.364 1.507 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.229 -6.537 2.719 1.00 0.00 C ATOM 1135 NZ LYS A 74 -15.043 -7.971 3.074 1.00 0.00 N ATOM 0 HA LYS A 74 -16.337 -2.879 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.300 -4.256 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.569 -4.203 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.903 -6.212 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.408 -6.522 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.887 -5.609 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.659 -7.297 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.258 -6.085 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.657 -6.005 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.422 -8.045 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.966 -8.397 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.611 -8.474 2.273 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.116 -1.943 -1.286 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.901 -1.100 -2.451 1.00 0.00 C ATOM 1151 C ARG A 75 -13.457 -1.128 -2.939 1.00 0.00 C ATOM 1152 O ARG A 75 -13.203 -1.321 -4.128 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.290 0.341 -2.123 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.480 0.597 -0.638 1.00 0.00 C ATOM 1155 CD ARG A 75 -15.949 2.018 -0.372 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.551 2.626 -1.556 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.481 3.574 -1.504 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.913 4.019 -0.332 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.979 4.078 -2.625 1.00 0.00 N ATOM 0 H ARG A 75 -14.434 -1.814 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.527 -1.496 -3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.520 1.012 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.214 0.587 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.208 -0.108 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.541 0.419 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.674 2.014 0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.104 2.623 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.240 2.305 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.531 3.634 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.627 4.747 -0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.648 3.738 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.693 4.806 -2.584 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.519 -0.878 -2.037 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.115 -0.814 -2.413 1.00 0.00 C ATOM 1175 C TYR A 76 -10.417 -2.168 -2.394 1.00 0.00 C ATOM 1176 O TYR A 76 -10.741 -3.049 -1.597 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.390 0.184 -1.519 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.224 1.408 -1.256 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.422 1.591 -1.929 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.827 2.367 -0.344 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.205 2.695 -1.703 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.604 3.485 -0.108 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.795 3.646 -0.791 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.573 4.757 -0.559 1.00 0.00 O ATOM 0 H TYR A 76 -12.703 -0.717 -1.047 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.078 -0.478 -3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.137 -0.293 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.451 0.478 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.745 0.850 -2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.897 2.241 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.136 2.819 -2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.283 4.229 0.606 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.140 5.325 0.112 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.452 -2.307 -3.300 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.670 -3.540 -3.439 1.00 0.00 C ATOM 1196 C TYR A 77 -7.441 -3.304 -4.322 1.00 0.00 C ATOM 1197 O TYR A 77 -7.375 -2.316 -5.049 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.531 -4.645 -4.048 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.944 -4.360 -5.473 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.949 -3.440 -5.752 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.324 -5.002 -6.538 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.327 -3.166 -7.052 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.696 -4.731 -7.842 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.695 -3.813 -8.093 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.067 -3.545 -9.391 1.00 0.00 O ATOM 0 H TYR A 77 -9.188 -1.573 -3.958 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.338 -3.846 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.980 -5.585 -4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.424 -4.779 -3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.443 -2.931 -4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.542 -5.721 -6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.111 -2.451 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.206 -5.236 -8.661 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.385 -3.890 -10.005 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.475 -4.222 -4.272 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.266 -4.104 -5.093 1.00 0.00 C ATOM 1217 C VAL A 78 -4.966 -5.415 -5.798 1.00 0.00 C ATOM 1218 O VAL A 78 -3.852 -5.933 -5.718 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.024 -3.707 -4.268 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.115 -2.268 -3.795 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.831 -4.654 -3.095 1.00 0.00 C ATOM 0 H VAL A 78 -6.504 -5.050 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.470 -3.315 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.152 -3.787 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.226 -2.018 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.185 -1.605 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.000 -2.146 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.950 -4.355 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.708 -4.617 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.696 -5.670 -3.466 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.965 -5.953 -6.480 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.810 -7.212 -7.190 1.00 0.00 C ATOM 1233 C ALA A 79 -7.165 -7.776 -7.580 1.00 0.00 C ATOM 1234 O ALA A 79 -7.384 -8.982 -7.475 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.078 -8.220 -6.307 1.00 0.00 C ATOM 0 H ALA A 79 -6.893 -5.536 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.230 -7.027 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.965 -9.161 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.094 -7.830 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.652 -8.390 -5.396 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.099 -6.918 -7.988 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.423 -7.418 -8.318 1.00 0.00 C ATOM 1243 C GLU A 80 -9.711 -8.515 -7.318 1.00 0.00 C ATOM 1244 O GLU A 80 -10.394 -9.499 -7.599 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.469 -7.960 -9.748 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.592 -6.876 -10.806 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.435 -6.884 -11.786 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.131 -7.962 -12.338 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.831 -5.811 -12.000 1.00 0.00 O ATOM 0 H GLU A 80 -7.968 -5.912 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.168 -6.624 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.566 -8.540 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.312 -8.644 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.526 -7.010 -11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.644 -5.902 -10.319 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.100 -8.332 -6.151 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.171 -9.281 -5.062 1.00 0.00 C ATOM 1258 C LYS A 81 -9.584 -8.614 -3.758 1.00 0.00 C ATOM 1259 O LYS A 81 -9.460 -7.399 -3.604 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.792 -9.904 -4.903 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.005 -9.367 -3.720 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.694 -7.894 -3.860 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.618 -7.490 -2.878 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.404 -8.340 -3.008 1.00 0.00 N ATOM 0 H LYS A 81 -8.537 -7.508 -5.940 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.924 -10.035 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.902 -10.983 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.220 -9.733 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.573 -9.531 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.074 -9.925 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.367 -7.679 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.595 -7.307 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.350 -6.446 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.007 -7.564 -1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.144 -8.720 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.599 -9.127 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.619 -7.769 -3.380 1.00 0.00 H new ATOM 1278 N TYR A 82 -10.084 -9.418 -2.827 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.524 -8.909 -1.539 1.00 0.00 C ATOM 1280 C TYR A 82 -10.568 -7.393 -1.553 1.00 0.00 C ATOM 1281 O TYR A 82 -9.532 -6.730 -1.549 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.631 -9.354 -0.365 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.457 -10.271 -0.670 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.114 -10.670 -1.958 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.676 -10.732 0.380 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.029 -11.495 -2.181 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -6.595 -11.555 0.164 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.273 -11.936 -1.118 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.193 -12.759 -1.339 1.00 0.00 O ATOM 0 H TYR A 82 -10.194 -10.425 -2.943 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.518 -9.329 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.239 -8.457 0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.265 -9.855 0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.705 -10.330 -2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.922 -10.438 1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.774 -11.794 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.002 -11.901 0.998 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.809 -12.565 -2.219 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.771 -6.850 -1.555 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.948 -5.412 -1.553 1.00 0.00 C ATOM 1301 C VAL A 83 -12.312 -4.938 -0.155 1.00 0.00 C ATOM 1302 O VAL A 83 -12.716 -5.736 0.690 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.027 -4.990 -2.560 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.592 -5.370 -3.965 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.359 -5.632 -2.215 1.00 0.00 C ATOM 0 H VAL A 83 -12.640 -7.384 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.009 -4.947 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.155 -3.909 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.360 -5.069 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.656 -4.865 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.447 -6.449 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.111 -5.321 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.257 -6.717 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.666 -5.319 -1.217 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.151 -3.648 0.103 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.453 -3.112 1.420 1.00 0.00 C ATOM 1317 C PHE A 84 -13.042 -1.711 1.334 1.00 0.00 C ATOM 1318 O PHE A 84 -13.035 -1.084 0.274 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.188 -3.114 2.282 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.513 -4.456 2.335 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.004 -5.034 1.181 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.396 -5.143 3.532 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.390 -6.272 1.222 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.781 -6.382 3.579 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.279 -6.948 2.421 1.00 0.00 C ATOM 0 H PHE A 84 -11.817 -2.961 -0.573 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.204 -3.751 1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.487 -2.377 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.445 -2.803 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.088 -4.511 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.789 -4.707 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.997 -6.710 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.693 -6.906 4.519 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.801 -7.916 2.455 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.559 -1.232 2.458 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.165 0.091 2.520 1.00 0.00 C ATOM 1337 C ASP A 85 -13.114 1.166 2.761 1.00 0.00 C ATOM 1338 O ASP A 85 -13.438 2.349 2.868 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.222 0.140 3.625 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.704 -0.400 4.944 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -13.850 -1.311 4.918 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.152 0.089 6.003 1.00 0.00 O ATOM 0 H ASP A 85 -13.571 -1.742 3.341 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.641 0.286 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.553 1.169 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.094 -0.437 3.316 1.00 0.00 H new ATOM 1347 N SER A 86 -11.853 0.755 2.844 1.00 0.00 N ATOM 1348 CA SER A 86 -10.769 1.700 3.070 1.00 0.00 C ATOM 1349 C SER A 86 -9.403 1.018 3.035 1.00 0.00 C ATOM 1350 O SER A 86 -9.263 -0.174 3.357 1.00 0.00 O ATOM 1351 CB SER A 86 -10.963 2.421 4.406 1.00 0.00 C ATOM 1352 OG SER A 86 -10.795 3.821 4.259 1.00 0.00 O ATOM 0 H SER A 86 -11.559 -0.218 2.759 1.00 0.00 H new ATOM 0 HA SER A 86 -10.796 2.429 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.959 2.210 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.248 2.040 5.135 1.00 0.00 H new ATOM 0 HG SER A 86 -10.926 4.259 5.126 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.394 1.791 2.647 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.035 1.288 2.567 1.00 0.00 C ATOM 1360 C ILE A 87 -6.612 0.663 3.887 1.00 0.00 C ATOM 1361 O ILE A 87 -6.036 -0.418 3.911 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.033 2.404 2.222 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.182 2.856 0.771 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.612 1.926 2.478 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.427 2.339 0.088 1.00 0.00 C ATOM 0 H ILE A 87 -8.497 2.771 2.383 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.027 0.539 1.775 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.247 3.259 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.190 3.946 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.309 2.527 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.910 2.723 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.502 1.658 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.404 1.054 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.458 2.705 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.414 1.249 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.309 2.689 0.625 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.892 1.337 5.011 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.520 0.828 6.330 1.00 0.00 C ATOM 1379 C PRO A 88 -7.020 -0.590 6.541 1.00 0.00 C ATOM 1380 O PRO A 88 -6.251 -1.470 6.926 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.184 1.800 7.302 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.394 3.053 6.518 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.579 2.635 5.083 1.00 0.00 C ATOM 0 HA PRO A 88 -5.440 0.774 6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.130 1.403 7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.552 1.981 8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.268 3.595 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.539 3.722 6.620 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.634 2.545 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.142 3.359 4.395 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.292 -0.829 6.243 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.830 -2.172 6.363 1.00 0.00 C ATOM 1393 C LEU A 89 -8.205 -3.010 5.265 1.00 0.00 C ATOM 1394 O LEU A 89 -7.661 -4.092 5.513 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.355 -2.186 6.243 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.035 -0.829 6.392 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.111 -0.130 5.046 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.424 -0.993 6.988 1.00 0.00 C ATOM 0 H LEU A 89 -8.956 -0.124 5.923 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.592 -2.576 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.622 -2.603 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.756 -2.860 7.000 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.442 -0.214 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.598 0.838 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.104 0.017 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.685 -0.742 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.895 -0.015 7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.028 -1.622 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.346 -1.460 7.970 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.242 -2.469 4.046 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.637 -3.141 2.910 1.00 0.00 C ATOM 1412 C LEU A 90 -6.180 -3.447 3.235 1.00 0.00 C ATOM 1413 O LEU A 90 -5.652 -4.498 2.870 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.734 -2.264 1.663 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.365 -2.959 0.354 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.415 -2.682 -0.707 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.990 -2.508 -0.119 1.00 0.00 C ATOM 0 H LEU A 90 -8.682 -1.575 3.828 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.167 -4.072 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.753 -1.886 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.083 -1.399 1.794 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.330 -4.034 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.137 -3.184 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.382 -3.054 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.481 -1.608 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.743 -3.013 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.996 -1.430 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.245 -2.758 0.637 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.550 -2.521 3.958 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.166 -2.678 4.380 1.00 0.00 C ATOM 1431 C ILE A 91 -4.107 -3.600 5.584 1.00 0.00 C ATOM 1432 O ILE A 91 -3.383 -4.595 5.590 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.522 -1.329 4.763 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.579 -0.353 3.591 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.080 -1.543 5.200 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.895 -0.876 2.357 1.00 0.00 C ATOM 0 H ILE A 91 -5.984 -1.650 4.263 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.613 -3.097 3.539 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.084 -0.901 5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.621 -0.135 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.115 0.588 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.635 -0.585 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.056 -2.208 6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.514 -1.990 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.969 -0.137 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.845 -1.068 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.375 -1.802 2.040 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.897 -3.264 6.599 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.960 -4.064 7.808 1.00 0.00 C ATOM 1450 C GLN A 92 -5.226 -5.514 7.443 1.00 0.00 C ATOM 1451 O GLN A 92 -4.748 -6.432 8.109 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.055 -3.543 8.741 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.664 -2.281 9.492 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.177 -2.212 9.780 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.753 -2.260 10.935 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.374 -2.098 8.727 1.00 0.00 N ATOM 0 H GLN A 92 -5.501 -2.442 6.604 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.006 -3.993 8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.954 -3.345 8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.308 -4.321 9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -5.958 -1.409 8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.215 -2.236 10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.768 -2.062 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.364 -2.047 8.859 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.981 -5.715 6.364 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.287 -7.056 5.904 1.00 0.00 C ATOM 1467 C TYR A 93 -5.034 -7.710 5.334 1.00 0.00 C ATOM 1468 O TYR A 93 -4.756 -8.878 5.605 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.391 -7.018 4.853 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.959 -7.548 3.510 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.606 -8.880 3.350 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.906 -6.716 2.402 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.214 -9.369 2.120 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.518 -7.196 1.170 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.173 -8.525 1.032 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.784 -9.009 -0.196 1.00 0.00 O ATOM 0 H TYR A 93 -6.387 -4.968 5.800 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.638 -7.646 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.241 -7.601 5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.735 -5.991 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.638 -9.545 4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.173 -5.675 2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.941 -10.408 2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.484 -6.535 0.316 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.403 -9.713 -0.481 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.266 -6.944 4.556 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.033 -7.464 3.977 1.00 0.00 C ATOM 1488 C HIS A 94 -1.967 -7.607 5.053 1.00 0.00 C ATOM 1489 O HIS A 94 -1.282 -8.627 5.138 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.503 -6.538 2.886 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.389 -6.406 1.693 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.609 -7.433 0.805 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.086 -5.346 1.224 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.402 -7.013 -0.161 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.707 -5.748 0.069 1.00 0.00 N ATOM 0 H HIS A 94 -4.475 -5.975 4.317 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.259 -8.437 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.344 -5.548 3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.530 -6.904 2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.143 -4.366 1.675 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.744 -7.603 -0.998 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.306 -5.166 -0.516 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.827 -6.567 5.868 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.839 -6.556 6.936 1.00 0.00 C ATOM 1506 C GLN A 95 -0.907 -7.848 7.744 1.00 0.00 C ATOM 1507 O GLN A 95 0.101 -8.314 8.278 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.072 -5.359 7.859 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.043 -4.023 7.140 1.00 0.00 C ATOM 1510 CD GLN A 95 0.257 -3.276 7.353 1.00 0.00 C ATOM 1511 OE1 GLN A 95 1.213 -3.816 7.908 1.00 0.00 O ATOM 1512 NE2 GLN A 95 0.298 -2.024 6.914 1.00 0.00 N ATOM 0 H GLN A 95 -2.389 -5.718 5.807 1.00 0.00 H new ATOM 0 HA GLN A 95 0.150 -6.475 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.036 -5.475 8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.311 -5.359 8.639 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.194 -4.185 6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.873 -3.408 7.489 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.519 -1.616 6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.146 -1.470 7.031 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.104 -8.419 7.829 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.313 -9.656 8.570 1.00 0.00 C ATOM 1523 C TYR A 96 -2.519 -10.834 7.622 1.00 0.00 C ATOM 1524 O TYR A 96 -1.557 -11.410 7.114 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.521 -9.517 9.498 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.230 -8.730 10.756 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.961 -7.369 10.698 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.225 -9.348 12.000 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.695 -6.646 11.845 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.959 -8.631 13.152 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.695 -7.281 13.068 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.431 -6.564 14.212 1.00 0.00 O ATOM 0 H TYR A 96 -2.946 -8.043 7.392 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.421 -9.848 9.167 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.332 -9.031 8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.873 -10.511 9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.960 -6.868 9.741 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.432 -10.406 12.069 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.488 -5.588 11.783 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.958 -9.126 14.112 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.471 -7.161 14.989 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.780 -11.185 7.391 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.114 -12.295 6.505 1.00 0.00 C ATOM 1544 C ASN A 97 -3.268 -12.256 5.237 1.00 0.00 C ATOM 1545 O ASN A 97 -2.379 -11.415 5.096 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.600 -12.253 6.141 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.472 -11.853 7.315 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.455 -12.497 8.364 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.240 -10.783 7.144 1.00 0.00 N ATOM 0 H ASN A 97 -4.587 -10.718 7.804 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.900 -13.224 7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.751 -11.548 5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.910 -13.233 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.847 -10.465 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.222 -10.279 6.257 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.550 -13.172 4.316 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.807 -13.226 3.071 1.00 0.00 C ATOM 1558 C GLY A 98 -2.887 -11.930 2.289 1.00 0.00 C ATOM 1559 O GLY A 98 -2.348 -10.908 2.712 1.00 0.00 O ATOM 0 H GLY A 98 -4.280 -13.878 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.763 -13.453 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.192 -14.041 2.458 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.562 -11.972 1.145 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.699 -10.786 0.321 1.00 0.00 C ATOM 1565 C GLY A 99 -2.516 -10.586 -0.607 1.00 0.00 C ATOM 1566 O GLY A 99 -1.819 -9.575 -0.523 1.00 0.00 O ATOM 0 H GLY A 99 -4.017 -12.806 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.612 -10.861 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.806 -9.911 0.963 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.291 -11.552 -1.493 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.183 -11.456 -2.427 1.00 0.00 C ATOM 1572 C GLY A 100 -0.185 -10.390 -2.023 1.00 0.00 C ATOM 1573 O GLY A 100 0.414 -10.468 -0.951 1.00 0.00 O ATOM 0 H GLY A 100 -2.855 -12.398 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.678 -12.420 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.567 -11.233 -3.422 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.009 -9.389 -2.879 1.00 0.00 N ATOM 1578 CA LEU A 101 0.920 -8.303 -2.594 1.00 0.00 C ATOM 1579 C LEU A 101 2.298 -8.849 -2.224 1.00 0.00 C ATOM 1580 O LEU A 101 2.408 -9.900 -1.593 1.00 0.00 O ATOM 1581 CB LEU A 101 0.369 -7.437 -1.456 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.618 -6.351 -1.886 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.030 -6.912 -1.965 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.558 -5.176 -0.922 1.00 0.00 C ATOM 0 H LEU A 101 -0.495 -9.308 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 101 1.028 -7.692 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.122 -8.086 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.206 -6.963 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.338 -5.999 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.718 -6.124 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.059 -7.723 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.326 -7.291 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.265 -4.409 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.816 -5.515 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.450 -4.760 -0.917 1.00 0.00 H new ATOM 1596 N VAL A 102 3.347 -8.134 -2.627 1.00 0.00 N ATOM 1597 CA VAL A 102 4.715 -8.561 -2.338 1.00 0.00 C ATOM 1598 C VAL A 102 4.757 -9.490 -1.132 1.00 0.00 C ATOM 1599 O VAL A 102 5.338 -10.574 -1.191 1.00 0.00 O ATOM 1600 CB VAL A 102 5.649 -7.363 -2.074 1.00 0.00 C ATOM 1601 CG1 VAL A 102 6.056 -6.699 -3.381 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.988 -6.363 -1.135 1.00 0.00 C ATOM 0 H VAL A 102 3.277 -7.262 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 102 5.065 -9.092 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 102 6.553 -7.733 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.715 -5.856 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.579 -7.421 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.166 -6.343 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.664 -5.525 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.065 -5.998 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.762 -6.849 -0.186 1.00 0.00 H new ATOM 1612 N THR A 103 4.140 -9.058 -0.038 1.00 0.00 N ATOM 1613 CA THR A 103 4.109 -9.852 1.183 1.00 0.00 C ATOM 1614 C THR A 103 2.893 -9.493 2.027 1.00 0.00 C ATOM 1615 O THR A 103 2.928 -9.570 3.255 1.00 0.00 O ATOM 1616 CB THR A 103 5.390 -9.634 1.991 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.085 -9.334 3.341 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.253 -8.512 1.454 1.00 0.00 C ATOM 0 H THR A 103 3.655 -8.163 0.028 1.00 0.00 H new ATOM 0 HA THR A 103 4.041 -10.904 0.905 1.00 0.00 H new ATOM 0 HB THR A 103 5.946 -10.568 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.319 -9.873 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.145 -8.411 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.546 -8.737 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.690 -7.579 1.474 1.00 0.00 H new ATOM 1626 N ARG A 104 1.815 -9.101 1.357 1.00 0.00 N ATOM 1627 CA ARG A 104 0.584 -8.729 2.039 1.00 0.00 C ATOM 1628 C ARG A 104 0.860 -7.732 3.159 1.00 0.00 C ATOM 1629 O ARG A 104 0.582 -8.003 4.327 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.105 -9.972 2.606 1.00 0.00 C ATOM 1631 CG ARG A 104 0.817 -10.854 3.432 1.00 0.00 C ATOM 1632 CD ARG A 104 0.044 -11.946 4.152 1.00 0.00 C ATOM 1633 NE ARG A 104 0.613 -13.269 3.911 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.899 -13.559 4.076 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.745 -12.621 4.482 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.341 -14.786 3.837 1.00 0.00 N ATOM 0 H ARG A 104 1.770 -9.033 0.340 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.075 -8.256 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.947 -9.661 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.514 -10.558 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.568 -11.305 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.350 -10.243 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.041 -11.742 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.995 -11.933 3.822 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.012 -14.012 3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.408 -11.676 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.732 -12.845 4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.693 -15.510 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.329 -15.006 3.964 1.00 0.00 H new ATOM 1650 N LEU A 105 1.404 -6.574 2.798 1.00 0.00 N ATOM 1651 CA LEU A 105 1.708 -5.540 3.778 1.00 0.00 C ATOM 1652 C LEU A 105 2.612 -6.084 4.874 1.00 0.00 C ATOM 1653 O LEU A 105 2.150 -6.432 5.961 1.00 0.00 O ATOM 1654 CB LEU A 105 0.415 -5.000 4.385 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.514 -4.314 3.392 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -0.027 -2.915 3.149 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.577 -5.080 2.081 1.00 0.00 C ATOM 0 H LEU A 105 1.642 -6.330 1.837 1.00 0.00 H new ATOM 0 HA LEU A 105 2.232 -4.729 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.122 -5.824 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.668 -4.292 5.175 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.520 -4.289 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.688 -2.418 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.023 -2.363 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.984 -2.947 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.248 -4.567 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.420 -5.135 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.949 -6.088 2.266 1.00 0.00 H new ATOM 1669 N ARG A 106 3.904 -6.160 4.579 1.00 0.00 N ATOM 1670 CA ARG A 106 4.874 -6.670 5.542 1.00 0.00 C ATOM 1671 C ARG A 106 5.176 -5.636 6.620 1.00 0.00 C ATOM 1672 O ARG A 106 5.337 -5.979 7.792 1.00 0.00 O ATOM 1673 CB ARG A 106 6.170 -7.069 4.838 1.00 0.00 C ATOM 1674 CG ARG A 106 7.386 -7.035 5.750 1.00 0.00 C ATOM 1675 CD ARG A 106 8.003 -8.416 5.909 1.00 0.00 C ATOM 1676 NE ARG A 106 9.414 -8.344 6.280 1.00 0.00 N ATOM 1677 CZ ARG A 106 9.971 -9.108 7.215 1.00 0.00 C ATOM 1678 NH1 ARG A 106 9.239 -9.999 7.870 1.00 0.00 N ATOM 1679 NH2 ARG A 106 11.261 -8.981 7.494 1.00 0.00 N ATOM 0 H ARG A 106 4.304 -5.876 3.685 1.00 0.00 H new ATOM 0 HA ARG A 106 4.437 -7.549 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.059 -8.074 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.338 -6.399 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.128 -6.349 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.098 -6.649 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.456 -8.972 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.901 -8.969 4.975 1.00 0.00 H new ATOM 0 HE ARG A 106 10.005 -7.670 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.247 -10.099 7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.668 -10.584 8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.827 -8.297 6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.688 -9.567 8.211 1.00 0.00 H new ATOM 1693 N TYR A 107 5.261 -4.372 6.222 1.00 0.00 N ATOM 1694 CA TYR A 107 5.555 -3.299 7.163 1.00 0.00 C ATOM 1695 C TYR A 107 5.292 -1.929 6.551 1.00 0.00 C ATOM 1696 O TYR A 107 6.098 -1.421 5.770 1.00 0.00 O ATOM 1697 CB TYR A 107 7.009 -3.376 7.621 1.00 0.00 C ATOM 1698 CG TYR A 107 7.406 -2.219 8.502 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.824 -2.053 9.750 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.347 -1.289 8.085 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.171 -0.992 10.561 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.702 -0.225 8.891 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.111 -0.080 10.128 1.00 0.00 C ATOM 1704 OH TYR A 107 8.459 0.980 10.934 1.00 0.00 O ATOM 0 H TYR A 107 5.131 -4.066 5.258 1.00 0.00 H new ATOM 0 HA TYR A 107 4.893 -3.428 8.019 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.166 -4.309 8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.660 -3.401 6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.088 -2.765 10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.809 -1.399 7.115 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.709 -0.876 11.530 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.439 0.489 8.554 1.00 0.00 H new ATOM 0 HH TYR A 107 9.134 1.527 10.481 1.00 0.00 H new ATOM 1714 N PRO A 108 4.158 -1.312 6.901 1.00 0.00 N ATOM 1715 CA PRO A 108 3.784 0.008 6.395 1.00 0.00 C ATOM 1716 C PRO A 108 4.886 1.047 6.594 1.00 0.00 C ATOM 1717 O PRO A 108 5.248 1.374 7.724 1.00 0.00 O ATOM 1718 CB PRO A 108 2.549 0.385 7.224 1.00 0.00 C ATOM 1719 CG PRO A 108 2.485 -0.608 8.335 1.00 0.00 C ATOM 1720 CD PRO A 108 3.142 -1.848 7.813 1.00 0.00 C ATOM 0 HA PRO A 108 3.602 -0.016 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.634 1.400 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.645 0.350 6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.999 -0.237 9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.453 -0.805 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.587 -2.439 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.434 -2.495 7.296 1.00 0.00 H new ATOM 1728 N VAL A 109 5.403 1.576 5.488 1.00 0.00 N ATOM 1729 CA VAL A 109 6.439 2.588 5.528 1.00 0.00 C ATOM 1730 C VAL A 109 5.806 3.958 5.669 1.00 0.00 C ATOM 1731 O VAL A 109 4.860 4.286 4.955 1.00 0.00 O ATOM 1732 CB VAL A 109 7.293 2.553 4.249 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.924 3.909 3.978 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.350 1.470 4.352 1.00 0.00 C ATOM 0 H VAL A 109 5.113 1.313 4.546 1.00 0.00 H new ATOM 0 HA VAL A 109 7.084 2.384 6.383 1.00 0.00 H new ATOM 0 HB VAL A 109 6.642 2.318 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.522 3.857 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.141 4.657 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.562 4.187 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.947 1.456 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.996 1.672 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 109 7.867 0.502 4.484 1.00 0.00 H new ATOM 1744 N CYS A 110 6.312 4.752 6.597 1.00 0.00 N ATOM 1745 CA CYS A 110 5.773 6.079 6.820 1.00 0.00 C ATOM 1746 C CYS A 110 6.872 7.126 6.721 1.00 0.00 C ATOM 1747 O CYS A 110 7.484 7.505 7.719 1.00 0.00 O ATOM 1748 CB CYS A 110 5.086 6.147 8.186 1.00 0.00 C ATOM 1749 SG CYS A 110 5.329 7.710 9.062 1.00 0.00 S ATOM 0 H CYS A 110 7.092 4.501 7.205 1.00 0.00 H new ATOM 0 HA CYS A 110 5.033 6.289 6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.017 5.982 8.051 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.458 5.333 8.808 1.00 0.00 H new ATOM 0 HG CYS A 110 6.585 8.042 9.018 1.00 0.00 H new ATOM 1755 N GLY A 111 7.113 7.584 5.500 1.00 0.00 N ATOM 1756 CA GLY A 111 8.136 8.585 5.268 1.00 0.00 C ATOM 1757 C GLY A 111 7.591 9.829 4.595 1.00 0.00 C ATOM 1758 O GLY A 111 7.628 9.946 3.370 1.00 0.00 O ATOM 0 H GLY A 111 6.616 7.279 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.592 8.861 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.924 8.157 4.649 1.00 0.00 H new