USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 493 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 103 CYS SG : rot 136:sc= 0.155! USER MOD Set 1.2: A 105 ASN : amide:sc= -10.8! C(o=-12!,f=-4.1!) USER MOD Set 1.3: A 106 CYS SG : rot -64:sc= -1.23 USER MOD Set 1.4: A 108 LYS NZ :NH3+ -159:sc= -1.31! (180deg=-4.1!) USER MOD Set 1.5: A 136 CYS SG : rot -124:sc= 1.55 USER MOD Set 1.6: A 138 SER OG : rot 180:sc= 0 USER MOD Set 1.7: A 139 CYS SG : rot 154:sc= -0.636 USER MOD Set 2.1: A 81 TYR OH : rot 180:sc= 0.248 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.305! K(o=-6.2!,f=-0.92) USER MOD Set 2.3: A 127 ASN : amide:sc= -6.16! K(o=-6.2!,f=-0.92) USER MOD Single : A 82 SER OG : rot 17:sc= 1.3 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -160:sc= 0 USER MOD Single : A 87 THR OG1 : rot -3:sc= 0.893 USER MOD Single : A 90 GLN : amide:sc= -2.26! K(o=-2.3!,f=-1.6) USER MOD Single : A 92 TYR OH : rot -71:sc= -0.821! USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 1.41! (180deg=0.419!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.318 USER MOD Single : A 115 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.556) USER MOD Single : A 116 GLN : amide:sc= -4.54! C(o=-4.5!,f=-3!) USER MOD Single : A 118 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-7.6!) USER MOD Single : A 121 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0314) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -1.59! C(o=-1.6!,f=-2.7!) USER MOD Single : A 126 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-0.42) USER MOD Single : A 133 THR OG1 : rot 72:sc= -6.38! USER MOD Single : A 137 MET CE :methyl -132:sc= -1.46 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 81 53.641 4.600 -6.454 1.00 0.00 N ATOM 49 CA TYR A 81 53.976 5.966 -6.412 1.00 0.00 C ATOM 50 C TYR A 81 55.009 6.098 -5.343 1.00 0.00 C ATOM 51 O TYR A 81 55.311 5.097 -4.668 1.00 0.00 O ATOM 52 CB TYR A 81 52.733 6.809 -6.090 1.00 0.00 C ATOM 53 CG TYR A 81 51.850 6.214 -5.001 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.121 6.395 -3.640 1.00 0.00 C ATOM 55 CD2 TYR A 81 50.730 5.463 -5.346 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.297 5.844 -2.684 1.00 0.00 C ATOM 57 CE2 TYR A 81 49.917 4.932 -4.404 1.00 0.00 C ATOM 58 CZ TYR A 81 50.190 5.111 -3.082 1.00 0.00 C ATOM 59 OH TYR A 81 49.327 4.591 -2.143 1.00 0.00 O ATOM 0 HA TYR A 81 54.356 6.322 -7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.051 7.805 -5.782 1.00 0.00 H new ATOM 0 HB3 TYR A 81 52.142 6.929 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 81 52.983 6.971 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.505 5.300 -6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 81 51.511 5.982 -1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 81 49.048 4.364 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 81 48.605 4.106 -2.595 1.00 0.00 H new ATOM 69 N SER A 82 55.542 7.250 -5.162 1.00 0.00 N ATOM 70 CA SER A 82 56.516 7.431 -4.147 1.00 0.00 C ATOM 71 C SER A 82 55.788 7.854 -2.863 1.00 0.00 C ATOM 72 O SER A 82 54.775 8.580 -2.922 1.00 0.00 O ATOM 73 CB SER A 82 57.526 8.504 -4.566 1.00 0.00 C ATOM 74 OG SER A 82 58.612 8.604 -3.655 1.00 0.00 O ATOM 0 H SER A 82 55.321 8.085 -5.704 1.00 0.00 H new ATOM 0 HA SER A 82 57.064 6.504 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.908 8.272 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 82 57.022 9.468 -4.635 1.00 0.00 H new ATOM 0 HG SER A 82 58.643 7.801 -3.093 1.00 0.00 H new ATOM 80 N LEU A 83 56.273 7.419 -1.726 1.00 0.00 N ATOM 81 CA LEU A 83 55.629 7.746 -0.481 1.00 0.00 C ATOM 82 C LEU A 83 56.654 7.824 0.615 1.00 0.00 C ATOM 83 O LEU A 83 57.743 7.241 0.506 1.00 0.00 O ATOM 84 CB LEU A 83 54.634 6.653 -0.106 1.00 0.00 C ATOM 85 CG LEU A 83 53.583 7.023 0.960 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.495 7.921 0.421 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.030 5.803 1.623 1.00 0.00 C ATOM 0 H LEU A 83 57.108 6.840 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 83 55.118 8.702 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.110 6.343 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.194 5.788 0.251 1.00 0.00 H new ATOM 0 HG LEU A 83 54.099 7.606 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 83 51.784 8.148 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 83 52.937 8.847 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 83 51.978 7.417 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.292 6.097 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.557 5.166 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 83 53.838 5.255 2.108 1.00 0.00 H new ATOM 99 N TYR A 84 56.317 8.557 1.642 1.00 0.00 N ATOM 100 CA TYR A 84 57.070 8.601 2.867 1.00 0.00 C ATOM 101 C TYR A 84 57.032 7.263 3.492 1.00 0.00 C ATOM 102 O TYR A 84 55.938 6.736 3.777 1.00 0.00 O ATOM 103 CB TYR A 84 56.452 9.622 3.804 1.00 0.00 C ATOM 104 CG TYR A 84 57.263 10.861 3.978 1.00 0.00 C ATOM 105 CD1 TYR A 84 57.870 11.481 2.902 1.00 0.00 C ATOM 106 CD2 TYR A 84 57.441 11.396 5.232 1.00 0.00 C ATOM 107 CE1 TYR A 84 58.646 12.608 3.085 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.201 12.516 5.432 1.00 0.00 C ATOM 109 CZ TYR A 84 58.811 13.117 4.359 1.00 0.00 C ATOM 110 OH TYR A 84 59.591 14.225 4.555 1.00 0.00 O ATOM 0 H TYR A 84 55.491 9.155 1.650 1.00 0.00 H new ATOM 0 HA TYR A 84 58.102 8.885 2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.467 9.896 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.302 9.159 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.736 11.080 1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 84 56.970 10.921 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.119 13.087 2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 84 58.320 12.924 6.425 1.00 0.00 H new ATOM 0 HH TYR A 84 59.601 14.453 5.508 1.00 0.00 H new ATOM 120 N GLY A 85 58.210 6.697 3.679 1.00 0.00 N ATOM 121 CA GLY A 85 58.344 5.419 4.254 1.00 0.00 C ATOM 122 C GLY A 85 57.562 5.239 5.473 1.00 0.00 C ATOM 123 O GLY A 85 56.803 4.284 5.593 1.00 0.00 O ATOM 0 H GLY A 85 59.095 7.136 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 85 58.041 4.668 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.396 5.239 4.478 1.00 0.00 H new ATOM 127 N THR A 86 57.737 6.170 6.344 1.00 0.00 N ATOM 128 CA THR A 86 57.100 6.250 7.668 1.00 0.00 C ATOM 129 C THR A 86 55.563 5.896 7.634 1.00 0.00 C ATOM 130 O THR A 86 55.010 5.399 8.614 1.00 0.00 O ATOM 131 CB THR A 86 57.320 7.687 8.260 1.00 0.00 C ATOM 132 OG1 THR A 86 56.764 7.820 9.568 1.00 0.00 O ATOM 133 CG2 THR A 86 56.701 8.720 7.365 1.00 0.00 C ATOM 0 H THR A 86 58.361 6.957 6.167 1.00 0.00 H new ATOM 0 HA THR A 86 57.571 5.503 8.307 1.00 0.00 H new ATOM 0 HB THR A 86 58.397 7.840 8.326 1.00 0.00 H new ATOM 0 HG1 THR A 86 56.633 8.769 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 86 56.862 9.712 7.788 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.160 8.668 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.631 8.532 7.278 1.00 0.00 H new ATOM 141 N THR A 87 54.909 6.112 6.496 1.00 0.00 N ATOM 142 CA THR A 87 53.502 5.846 6.370 1.00 0.00 C ATOM 143 C THR A 87 53.164 4.441 5.825 1.00 0.00 C ATOM 144 O THR A 87 52.037 4.047 5.810 1.00 0.00 O ATOM 145 CB THR A 87 52.749 6.960 5.615 1.00 0.00 C ATOM 146 OG1 THR A 87 53.363 7.249 4.350 1.00 0.00 O ATOM 147 CG2 THR A 87 52.727 8.213 6.433 1.00 0.00 C ATOM 0 H THR A 87 55.346 6.474 5.648 1.00 0.00 H new ATOM 0 HA THR A 87 53.133 5.849 7.396 1.00 0.00 H new ATOM 0 HB THR A 87 51.734 6.604 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 87 54.176 6.711 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.193 8.993 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.223 8.020 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 87 53.749 8.540 6.625 1.00 0.00 H new ATOM 155 N LEU A 88 54.135 3.721 5.347 1.00 0.00 N ATOM 156 CA LEU A 88 53.918 2.360 4.760 1.00 0.00 C ATOM 157 C LEU A 88 53.215 1.361 5.654 1.00 0.00 C ATOM 158 O LEU A 88 52.569 0.434 5.156 1.00 0.00 O ATOM 159 CB LEU A 88 55.206 1.787 4.277 1.00 0.00 C ATOM 160 CG LEU A 88 55.511 1.972 2.818 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.663 1.063 1.999 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.248 3.384 2.426 1.00 0.00 C ATOM 0 H LEU A 88 55.108 4.026 5.336 1.00 0.00 H new ATOM 0 HA LEU A 88 53.232 2.531 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.016 2.231 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.208 0.719 4.494 1.00 0.00 H new ATOM 0 HG LEU A 88 56.560 1.735 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.892 1.205 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.864 0.029 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.611 1.289 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.470 3.515 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.201 3.623 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.880 4.049 3.014 1.00 0.00 H new ATOM 174 N GLU A 89 53.307 1.550 6.942 1.00 0.00 N ATOM 175 CA GLU A 89 52.623 0.688 7.882 1.00 0.00 C ATOM 176 C GLU A 89 51.096 0.876 7.743 1.00 0.00 C ATOM 177 O GLU A 89 50.308 -0.031 7.990 1.00 0.00 O ATOM 178 CB GLU A 89 53.140 0.976 9.278 1.00 0.00 C ATOM 179 CG GLU A 89 54.648 0.728 9.401 1.00 0.00 C ATOM 180 CD GLU A 89 55.181 1.072 10.749 1.00 0.00 C ATOM 181 OE1 GLU A 89 55.324 2.260 11.057 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.451 0.149 11.537 1.00 0.00 O ATOM 0 H GLU A 89 53.852 2.297 7.372 1.00 0.00 H new ATOM 0 HA GLU A 89 52.825 -0.362 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.922 2.012 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.611 0.349 9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.858 -0.320 9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 89 55.171 1.317 8.647 1.00 0.00 H new ATOM 189 N GLN A 90 50.737 2.050 7.271 1.00 0.00 N ATOM 190 CA GLN A 90 49.382 2.440 6.929 1.00 0.00 C ATOM 191 C GLN A 90 49.008 1.901 5.548 1.00 0.00 C ATOM 192 O GLN A 90 47.882 1.481 5.312 1.00 0.00 O ATOM 193 CB GLN A 90 49.344 3.985 6.898 1.00 0.00 C ATOM 194 CG GLN A 90 48.309 4.607 5.956 1.00 0.00 C ATOM 195 CD GLN A 90 48.894 5.616 4.932 1.00 0.00 C ATOM 196 OE1 GLN A 90 48.203 6.546 4.530 1.00 0.00 O ATOM 197 NE2 GLN A 90 50.153 5.444 4.486 1.00 0.00 N ATOM 0 H GLN A 90 51.413 2.796 7.107 1.00 0.00 H new ATOM 0 HA GLN A 90 48.677 2.039 7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 90 49.151 4.345 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.331 4.348 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 90 47.805 3.808 5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 90 47.551 5.113 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 90 50.714 4.665 4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 90 50.545 6.093 3.804 1.00 0.00 H new ATOM 206 N GLN A 91 49.981 1.891 4.666 1.00 0.00 N ATOM 207 CA GLN A 91 49.773 1.615 3.254 1.00 0.00 C ATOM 208 C GLN A 91 49.256 0.206 2.984 1.00 0.00 C ATOM 209 O GLN A 91 48.154 0.018 2.462 1.00 0.00 O ATOM 210 CB GLN A 91 51.081 1.799 2.489 1.00 0.00 C ATOM 211 CG GLN A 91 50.940 1.651 0.992 1.00 0.00 C ATOM 212 CD GLN A 91 50.180 2.780 0.382 1.00 0.00 C ATOM 213 OE1 GLN A 91 48.955 2.747 0.276 1.00 0.00 O ATOM 214 NE2 GLN A 91 50.894 3.769 -0.046 1.00 0.00 N ATOM 0 H GLN A 91 50.954 2.076 4.908 1.00 0.00 H new ATOM 0 HA GLN A 91 49.013 2.320 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.484 2.787 2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.807 1.070 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 91 51.930 1.596 0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 91 50.434 0.712 0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 91 51.908 3.751 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 91 50.444 4.567 -0.494 1.00 0.00 H new ATOM 223 N TYR A 92 50.041 -0.771 3.344 1.00 0.00 N ATOM 224 CA TYR A 92 49.750 -2.125 2.945 1.00 0.00 C ATOM 225 C TYR A 92 48.998 -2.920 3.943 1.00 0.00 C ATOM 226 O TYR A 92 48.520 -4.012 3.642 1.00 0.00 O ATOM 227 CB TYR A 92 51.014 -2.819 2.543 1.00 0.00 C ATOM 228 CG TYR A 92 51.498 -2.266 1.255 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.738 -2.409 0.114 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.638 -1.525 1.188 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.118 -1.839 -1.064 1.00 0.00 C ATOM 232 CE2 TYR A 92 53.020 -0.933 0.011 1.00 0.00 C ATOM 233 CZ TYR A 92 52.258 -1.098 -1.107 1.00 0.00 C ATOM 234 OH TYR A 92 52.620 -0.491 -2.269 1.00 0.00 O ATOM 0 H TYR A 92 50.883 -0.659 3.909 1.00 0.00 H new ATOM 0 HA TYR A 92 49.076 -2.049 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.773 -2.689 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.838 -3.890 2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 92 49.824 -2.983 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 92 53.248 -1.402 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.521 -1.974 -1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.921 -0.339 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 92 52.923 -1.167 -2.910 1.00 0.00 H new ATOM 244 N ASN A 93 48.916 -2.373 5.134 1.00 0.00 N ATOM 245 CA ASN A 93 48.314 -3.033 6.329 1.00 0.00 C ATOM 246 C ASN A 93 49.248 -4.125 6.810 1.00 0.00 C ATOM 247 O ASN A 93 48.953 -4.901 7.721 1.00 0.00 O ATOM 248 CB ASN A 93 46.883 -3.589 6.097 1.00 0.00 C ATOM 249 CG ASN A 93 45.829 -2.514 5.865 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.559 -2.112 4.731 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.218 -2.048 6.928 1.00 0.00 N ATOM 0 H ASN A 93 49.267 -1.436 5.331 1.00 0.00 H new ATOM 0 HA ASN A 93 48.195 -2.265 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 93 46.900 -4.258 5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.593 -4.187 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.497 -1.333 6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 93 45.464 -2.401 7.853 1.00 0.00 H new ATOM 258 N LYS A 94 50.381 -4.137 6.186 1.00 0.00 N ATOM 259 CA LYS A 94 51.459 -4.981 6.448 1.00 0.00 C ATOM 260 C LYS A 94 52.635 -4.021 6.421 1.00 0.00 C ATOM 261 O LYS A 94 52.789 -3.244 5.463 1.00 0.00 O ATOM 262 CB LYS A 94 51.527 -6.107 5.365 1.00 0.00 C ATOM 263 CG LYS A 94 52.488 -5.907 4.223 1.00 0.00 C ATOM 264 CD LYS A 94 53.596 -6.902 4.360 1.00 0.00 C ATOM 265 CE LYS A 94 53.314 -8.185 3.613 1.00 0.00 C ATOM 266 NZ LYS A 94 54.004 -9.325 4.198 1.00 0.00 N ATOM 0 H LYS A 94 50.573 -3.494 5.418 1.00 0.00 H new ATOM 0 HA LYS A 94 51.412 -5.525 7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 94 51.786 -7.041 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 94 50.528 -6.235 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 94 51.976 -6.038 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 94 52.886 -4.892 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 94 54.522 -6.464 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 94 53.751 -7.126 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 94 52.241 -8.374 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 94 53.619 -8.072 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 53.892 -10.153 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 55.015 -9.103 4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 53.598 -9.534 5.133 1.00 0.00 H new ATOM 280 N PRO A 95 53.381 -3.934 7.495 1.00 0.00 N ATOM 281 CA PRO A 95 54.441 -2.957 7.602 1.00 0.00 C ATOM 282 C PRO A 95 55.698 -3.399 6.912 1.00 0.00 C ATOM 283 O PRO A 95 55.786 -4.508 6.429 1.00 0.00 O ATOM 284 CB PRO A 95 54.673 -2.871 9.098 1.00 0.00 C ATOM 285 CG PRO A 95 54.384 -4.250 9.594 1.00 0.00 C ATOM 286 CD PRO A 95 53.271 -4.773 8.711 1.00 0.00 C ATOM 0 HA PRO A 95 54.174 -2.010 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.696 -2.572 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 95 54.016 -2.135 9.561 1.00 0.00 H new ATOM 0 HG2 PRO A 95 55.268 -4.884 9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 95 54.080 -4.235 10.641 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.401 -5.831 8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 95 52.296 -4.667 9.187 1.00 0.00 H new ATOM 294 N LEU A 96 56.672 -2.527 6.909 1.00 0.00 N ATOM 295 CA LEU A 96 57.995 -2.783 6.373 1.00 0.00 C ATOM 296 C LEU A 96 58.591 -4.014 6.997 1.00 0.00 C ATOM 297 O LEU A 96 59.118 -4.836 6.308 1.00 0.00 O ATOM 298 CB LEU A 96 58.859 -1.568 6.617 1.00 0.00 C ATOM 299 CG LEU A 96 58.541 -0.382 5.744 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.472 0.447 6.332 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.767 0.409 5.445 1.00 0.00 C ATOM 0 H LEU A 96 56.569 -1.587 7.291 1.00 0.00 H new ATOM 0 HA LEU A 96 57.931 -2.967 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.757 -1.271 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.902 -1.845 6.464 1.00 0.00 H new ATOM 0 HG LEU A 96 58.162 -0.756 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.267 1.294 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.568 -0.151 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.790 0.812 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.507 1.258 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.203 0.770 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.489 -0.221 4.926 1.00 0.00 H new ATOM 313 N SER A 97 58.394 -4.193 8.284 1.00 0.00 N ATOM 314 CA SER A 97 58.890 -5.356 9.011 1.00 0.00 C ATOM 315 C SER A 97 58.270 -6.679 8.491 1.00 0.00 C ATOM 316 O SER A 97 58.704 -7.769 8.855 1.00 0.00 O ATOM 317 CB SER A 97 58.568 -5.161 10.478 1.00 0.00 C ATOM 318 OG SER A 97 59.113 -3.927 10.930 1.00 0.00 O ATOM 0 H SER A 97 57.881 -3.533 8.868 1.00 0.00 H new ATOM 0 HA SER A 97 59.966 -5.439 8.859 1.00 0.00 H new ATOM 0 HB2 SER A 97 57.488 -5.169 10.627 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.976 -5.985 11.062 1.00 0.00 H new ATOM 0 HG SER A 97 58.901 -3.804 11.879 1.00 0.00 H new ATOM 324 N ASP A 98 57.264 -6.569 7.649 1.00 0.00 N ATOM 325 CA ASP A 98 56.623 -7.719 7.078 1.00 0.00 C ATOM 326 C ASP A 98 56.688 -7.682 5.564 1.00 0.00 C ATOM 327 O ASP A 98 56.522 -8.705 4.891 1.00 0.00 O ATOM 328 CB ASP A 98 55.180 -7.771 7.526 1.00 0.00 C ATOM 329 CG ASP A 98 54.524 -9.083 7.172 1.00 0.00 C ATOM 330 OD1 ASP A 98 55.187 -10.135 7.233 1.00 0.00 O ATOM 331 OD2 ASP A 98 53.329 -9.089 6.815 1.00 0.00 O ATOM 0 H ASP A 98 56.873 -5.677 7.346 1.00 0.00 H new ATOM 0 HA ASP A 98 57.147 -8.611 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 98 55.130 -7.620 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.627 -6.953 7.064 1.00 0.00 H new ATOM 336 N LEU A 99 56.946 -6.531 5.020 1.00 0.00 N ATOM 337 CA LEU A 99 56.875 -6.355 3.612 1.00 0.00 C ATOM 338 C LEU A 99 58.223 -6.624 3.017 1.00 0.00 C ATOM 339 O LEU A 99 59.251 -6.127 3.535 1.00 0.00 O ATOM 340 CB LEU A 99 56.415 -4.918 3.319 1.00 0.00 C ATOM 341 CG LEU A 99 56.122 -4.552 1.859 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.805 -5.145 1.426 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.124 -3.052 1.652 1.00 0.00 C ATOM 0 H LEU A 99 57.210 -5.695 5.542 1.00 0.00 H new ATOM 0 HA LEU A 99 56.160 -7.049 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.513 -4.728 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.182 -4.237 3.689 1.00 0.00 H new ATOM 0 HG LEU A 99 56.917 -4.971 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.609 -4.877 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.846 -6.230 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 99 54.006 -4.757 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 99 55.913 -2.829 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.360 -2.597 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.101 -2.649 1.919 1.00 0.00 H new ATOM 355 N LEU A 100 58.250 -7.452 1.978 1.00 0.00 N ATOM 356 CA LEU A 100 59.462 -7.676 1.278 1.00 0.00 C ATOM 357 C LEU A 100 59.770 -6.366 0.636 1.00 0.00 C ATOM 358 O LEU A 100 58.974 -5.796 -0.075 1.00 0.00 O ATOM 359 CB LEU A 100 59.338 -8.759 0.234 1.00 0.00 C ATOM 360 CG LEU A 100 60.656 -9.564 -0.098 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.451 -10.488 -1.275 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.851 -8.653 -0.375 1.00 0.00 C ATOM 0 H LEU A 100 57.443 -7.964 1.622 1.00 0.00 H new ATOM 0 HA LEU A 100 60.247 -8.019 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.578 -9.467 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 100 58.972 -8.306 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 100 60.879 -10.151 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.376 -11.028 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.658 -11.200 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.171 -9.904 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.728 -9.261 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.629 -8.011 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.049 -8.036 0.502 1.00 0.00 H new ATOM 374 N ILE A 101 60.865 -5.884 0.926 1.00 0.00 N ATOM 375 CA ILE A 101 61.209 -4.597 0.578 1.00 0.00 C ATOM 376 C ILE A 101 62.640 -4.628 0.110 1.00 0.00 C ATOM 377 O ILE A 101 63.436 -5.315 0.712 1.00 0.00 O ATOM 378 CB ILE A 101 60.995 -3.788 1.852 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.741 -2.946 1.710 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.214 -2.968 2.238 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.250 -2.289 2.924 1.00 0.00 C ATOM 0 H ILE A 101 61.590 -6.388 1.436 1.00 0.00 H new ATOM 0 HA ILE A 101 60.627 -4.156 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 101 60.852 -4.481 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.930 -2.178 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.946 -3.582 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 101 62.004 -2.413 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 101 63.062 -3.633 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.452 -2.270 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.351 -1.719 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 101 59.017 -3.042 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 101 60.016 -1.616 3.309 1.00 0.00 H new ATOM 393 N ARG A 102 62.969 -3.948 -0.973 1.00 0.00 N ATOM 394 CA ARG A 102 64.324 -4.055 -1.520 1.00 0.00 C ATOM 395 C ARG A 102 64.849 -2.741 -1.983 1.00 0.00 C ATOM 396 O ARG A 102 64.095 -1.839 -2.264 1.00 0.00 O ATOM 397 CB ARG A 102 64.382 -5.065 -2.688 1.00 0.00 C ATOM 398 CG ARG A 102 64.037 -6.505 -2.351 1.00 0.00 C ATOM 399 CD ARG A 102 63.775 -7.349 -3.597 1.00 0.00 C ATOM 400 NE ARG A 102 63.572 -8.772 -3.282 1.00 0.00 N ATOM 401 CZ ARG A 102 63.271 -9.731 -4.189 1.00 0.00 C ATOM 402 NH1 ARG A 102 63.003 -9.408 -5.446 1.00 0.00 N ATOM 403 NH2 ARG A 102 63.209 -11.001 -3.819 1.00 0.00 N ATOM 0 H ARG A 102 62.341 -3.329 -1.486 1.00 0.00 H new ATOM 0 HA ARG A 102 64.953 -4.410 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.702 -4.724 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.387 -5.044 -3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.854 -6.948 -1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.155 -6.524 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 102 62.895 -6.965 -4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.616 -7.249 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 102 63.665 -9.057 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 102 63.023 -8.430 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 102 62.777 -10.137 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 102 63.388 -11.259 -2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 102 62.982 -11.721 -4.504 1.00 0.00 H new ATOM 417 N CYS A 103 66.164 -2.644 -2.006 1.00 0.00 N ATOM 418 CA CYS A 103 66.840 -1.544 -2.528 1.00 0.00 C ATOM 419 C CYS A 103 66.447 -1.324 -4.020 1.00 0.00 C ATOM 420 O CYS A 103 66.361 -2.286 -4.785 1.00 0.00 O ATOM 421 CB CYS A 103 68.288 -1.820 -2.453 1.00 0.00 C ATOM 422 SG CYS A 103 69.218 -0.323 -2.138 1.00 0.00 S ATOM 0 H CYS A 103 66.782 -3.369 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 103 66.580 -0.651 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.482 -2.545 -1.662 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.624 -2.270 -3.387 1.00 0.00 H new ATOM 0 HG CYS A 103 70.127 -0.558 -1.239 1.00 0.00 H new ATOM 427 N ILE A 104 66.291 -0.091 -4.420 1.00 0.00 N ATOM 428 CA ILE A 104 65.821 0.266 -5.745 1.00 0.00 C ATOM 429 C ILE A 104 66.898 0.077 -6.767 1.00 0.00 C ATOM 430 O ILE A 104 66.675 -0.291 -7.915 1.00 0.00 O ATOM 431 CB ILE A 104 65.273 1.746 -5.755 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.370 1.966 -6.931 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.386 2.757 -5.810 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.436 3.077 -6.709 1.00 0.00 C ATOM 0 H ILE A 104 66.489 0.715 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 104 65.000 -0.400 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 104 64.720 1.882 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 104 64.972 2.170 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.807 1.054 -7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.965 3.762 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 104 67.029 2.638 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 104 66.972 2.604 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.802 3.200 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.815 2.862 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 104 63.997 3.995 -6.536 1.00 0.00 H new ATOM 446 N ASN A 105 68.053 0.289 -6.308 1.00 0.00 N ATOM 447 CA ASN A 105 69.247 0.269 -7.069 1.00 0.00 C ATOM 448 C ASN A 105 70.018 -0.992 -6.865 1.00 0.00 C ATOM 449 O ASN A 105 70.824 -1.358 -7.717 1.00 0.00 O ATOM 450 CB ASN A 105 70.100 1.522 -6.753 1.00 0.00 C ATOM 451 CG ASN A 105 69.835 2.093 -5.422 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.774 3.301 -5.235 1.00 0.00 O ATOM 453 ND2 ASN A 105 69.785 1.245 -4.474 1.00 0.00 N ATOM 0 H ASN A 105 68.216 0.497 -5.323 1.00 0.00 H new ATOM 0 HA ASN A 105 68.977 0.295 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.156 1.260 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 105 69.909 2.282 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.690 1.563 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 105 69.840 0.247 -4.679 1.00 0.00 H new ATOM 460 N CYS A 106 69.798 -1.694 -5.757 1.00 0.00 N ATOM 461 CA CYS A 106 70.539 -2.924 -5.635 1.00 0.00 C ATOM 462 C CYS A 106 69.701 -4.200 -5.616 1.00 0.00 C ATOM 463 O CYS A 106 70.237 -5.292 -5.810 1.00 0.00 O ATOM 464 CB CYS A 106 71.714 -2.937 -4.624 1.00 0.00 C ATOM 465 SG CYS A 106 71.323 -3.008 -2.846 1.00 0.00 S ATOM 0 H CYS A 106 69.166 -1.453 -4.994 1.00 0.00 H new ATOM 0 HA CYS A 106 71.046 -2.939 -6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 106 72.346 -3.793 -4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 106 72.312 -2.042 -4.797 1.00 0.00 H new ATOM 0 HG CYS A 106 70.680 -1.932 -2.500 1.00 0.00 H new ATOM 470 N GLN A 107 68.388 -4.059 -5.388 1.00 0.00 N ATOM 471 CA GLN A 107 67.442 -5.160 -5.358 1.00 0.00 C ATOM 472 C GLN A 107 67.618 -6.076 -4.186 1.00 0.00 C ATOM 473 O GLN A 107 67.000 -7.141 -4.085 1.00 0.00 O ATOM 474 CB GLN A 107 67.381 -5.889 -6.641 1.00 0.00 C ATOM 475 CG GLN A 107 66.640 -5.100 -7.670 1.00 0.00 C ATOM 476 CD GLN A 107 67.538 -4.335 -8.631 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.940 -4.846 -9.674 1.00 0.00 O ATOM 478 NE2 GLN A 107 67.835 -3.110 -8.305 1.00 0.00 N ATOM 0 H GLN A 107 67.954 -3.152 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 107 66.467 -4.695 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 107 68.391 -6.096 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.891 -6.852 -6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 107 66.005 -5.776 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 107 65.981 -4.394 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 107 67.485 -2.716 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.417 -2.545 -8.923 1.00 0.00 H new ATOM 487 N LYS A 108 68.432 -5.636 -3.292 1.00 0.00 N ATOM 488 CA LYS A 108 68.679 -6.276 -2.051 1.00 0.00 C ATOM 489 C LYS A 108 67.567 -5.941 -1.122 1.00 0.00 C ATOM 490 O LYS A 108 67.253 -4.789 -0.951 1.00 0.00 O ATOM 491 CB LYS A 108 69.914 -5.686 -1.479 1.00 0.00 C ATOM 492 CG LYS A 108 70.193 -6.155 -0.101 1.00 0.00 C ATOM 493 CD LYS A 108 71.049 -5.197 0.644 1.00 0.00 C ATOM 494 CE LYS A 108 70.215 -4.081 1.218 1.00 0.00 C ATOM 495 NZ LYS A 108 71.036 -3.228 2.077 1.00 0.00 N ATOM 0 H LYS A 108 68.969 -4.778 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 108 68.769 -7.354 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.760 -5.934 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.824 -4.600 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.253 -6.294 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.684 -7.127 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.574 -5.716 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.809 -4.786 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.782 -3.489 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.385 -4.495 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.423 -2.701 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 71.698 -3.818 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.572 -2.558 1.490 1.00 0.00 H new ATOM 509 N PRO A 109 66.972 -6.913 -0.511 1.00 0.00 N ATOM 510 CA PRO A 109 65.935 -6.671 0.432 1.00 0.00 C ATOM 511 C PRO A 109 66.473 -5.989 1.718 1.00 0.00 C ATOM 512 O PRO A 109 67.419 -6.467 2.346 1.00 0.00 O ATOM 513 CB PRO A 109 65.307 -8.038 0.686 1.00 0.00 C ATOM 514 CG PRO A 109 66.088 -9.013 -0.148 1.00 0.00 C ATOM 515 CD PRO A 109 67.272 -8.323 -0.687 1.00 0.00 C ATOM 0 HA PRO A 109 65.190 -5.968 0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.357 -8.300 1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.253 -8.042 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.390 -9.870 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.471 -9.396 -0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.177 -8.608 -0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.433 -8.568 -1.737 1.00 0.00 H new ATOM 523 N LEU A 110 65.884 -4.861 2.054 1.00 0.00 N ATOM 524 CA LEU A 110 66.304 -4.028 3.180 1.00 0.00 C ATOM 525 C LEU A 110 65.633 -4.513 4.388 1.00 0.00 C ATOM 526 O LEU A 110 64.434 -4.774 4.387 1.00 0.00 O ATOM 527 CB LEU A 110 65.917 -2.559 2.947 1.00 0.00 C ATOM 528 CG LEU A 110 66.100 -1.987 1.564 1.00 0.00 C ATOM 529 CD1 LEU A 110 65.912 -0.496 1.613 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.455 -2.312 1.060 1.00 0.00 C ATOM 0 H LEU A 110 65.084 -4.483 1.547 1.00 0.00 H new ATOM 0 HA LEU A 110 67.387 -4.088 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.868 -2.443 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.496 -1.948 3.640 1.00 0.00 H new ATOM 0 HG LEU A 110 65.362 -2.421 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.044 -0.080 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.909 -0.267 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.647 -0.059 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.581 -1.896 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.204 -1.885 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.579 -3.394 1.021 1.00 0.00 H new ATOM 542 N SER A 111 66.393 -4.677 5.387 1.00 0.00 N ATOM 543 CA SER A 111 65.922 -5.094 6.650 1.00 0.00 C ATOM 544 C SER A 111 65.544 -3.838 7.447 1.00 0.00 C ATOM 545 O SER A 111 65.754 -2.718 6.924 1.00 0.00 O ATOM 546 CB SER A 111 67.016 -5.965 7.289 1.00 0.00 C ATOM 547 OG SER A 111 68.299 -5.480 6.937 1.00 0.00 O ATOM 0 H SER A 111 67.400 -4.521 5.355 1.00 0.00 H new ATOM 0 HA SER A 111 65.023 -5.709 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 111 66.904 -5.964 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.907 -6.998 6.959 1.00 0.00 H new ATOM 0 HG SER A 111 68.986 -6.042 7.352 1.00 0.00 H new ATOM 553 N PRO A 112 64.917 -3.965 8.659 1.00 0.00 N ATOM 554 CA PRO A 112 64.521 -2.818 9.497 1.00 0.00 C ATOM 555 C PRO A 112 65.566 -1.690 9.545 1.00 0.00 C ATOM 556 O PRO A 112 65.208 -0.533 9.571 1.00 0.00 O ATOM 557 CB PRO A 112 64.333 -3.452 10.859 1.00 0.00 C ATOM 558 CG PRO A 112 63.786 -4.794 10.546 1.00 0.00 C ATOM 559 CD PRO A 112 64.497 -5.240 9.298 1.00 0.00 C ATOM 0 HA PRO A 112 63.634 -2.319 9.107 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.275 -3.520 11.403 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.648 -2.874 11.479 1.00 0.00 H new ATOM 0 HG2 PRO A 112 63.961 -5.490 11.367 1.00 0.00 H new ATOM 0 HG3 PRO A 112 62.708 -4.751 10.389 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.353 -5.873 9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 112 63.840 -5.817 8.647 1.00 0.00 H new ATOM 567 N GLU A 113 66.842 -2.048 9.475 1.00 0.00 N ATOM 568 CA GLU A 113 67.940 -1.078 9.451 1.00 0.00 C ATOM 569 C GLU A 113 67.749 0.004 8.380 1.00 0.00 C ATOM 570 O GLU A 113 67.868 1.204 8.664 1.00 0.00 O ATOM 571 CB GLU A 113 69.290 -1.793 9.267 1.00 0.00 C ATOM 572 CG GLU A 113 69.338 -2.821 8.127 1.00 0.00 C ATOM 573 CD GLU A 113 70.675 -3.507 8.043 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.037 -4.220 9.000 1.00 0.00 O ATOM 575 OE2 GLU A 113 71.394 -3.346 7.045 1.00 0.00 O ATOM 0 H GLU A 113 67.150 -3.020 9.433 1.00 0.00 H new ATOM 0 HA GLU A 113 67.936 -0.571 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.059 -1.041 9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.546 -2.297 10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.557 -3.566 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.126 -2.323 7.181 1.00 0.00 H new ATOM 582 N GLU A 114 67.411 -0.408 7.176 1.00 0.00 N ATOM 583 CA GLU A 114 67.271 0.513 6.089 1.00 0.00 C ATOM 584 C GLU A 114 65.821 0.931 5.898 1.00 0.00 C ATOM 585 O GLU A 114 65.522 1.950 5.292 1.00 0.00 O ATOM 586 CB GLU A 114 67.896 -0.137 4.911 1.00 0.00 C ATOM 587 CG GLU A 114 69.365 -0.311 5.164 1.00 0.00 C ATOM 588 CD GLU A 114 70.024 -1.362 4.364 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.393 -2.384 4.034 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.209 -1.188 4.019 1.00 0.00 O ATOM 0 H GLU A 114 67.229 -1.382 6.934 1.00 0.00 H new ATOM 0 HA GLU A 114 67.780 1.458 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.430 -1.105 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.738 0.470 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.865 0.638 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.510 -0.537 6.220 1.00 0.00 H new ATOM 597 N LYS A 115 64.939 0.172 6.482 1.00 0.00 N ATOM 598 CA LYS A 115 63.518 0.498 6.529 1.00 0.00 C ATOM 599 C LYS A 115 63.306 1.666 7.441 1.00 0.00 C ATOM 600 O LYS A 115 62.595 2.602 7.106 1.00 0.00 O ATOM 601 CB LYS A 115 62.768 -0.702 7.039 1.00 0.00 C ATOM 602 CG LYS A 115 62.630 -1.786 5.999 1.00 0.00 C ATOM 603 CD LYS A 115 62.059 -3.111 6.512 1.00 0.00 C ATOM 604 CE LYS A 115 61.753 -3.996 5.330 1.00 0.00 C ATOM 605 NZ LYS A 115 61.623 -5.438 5.654 1.00 0.00 N ATOM 0 H LYS A 115 65.176 -0.704 6.948 1.00 0.00 H new ATOM 0 HA LYS A 115 63.156 0.760 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.284 -1.104 7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.776 -0.392 7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.990 -1.419 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.611 -1.976 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.774 -3.599 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.155 -2.933 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.826 -3.656 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.542 -3.874 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.803 -6.003 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.314 -5.692 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.662 -5.631 6.001 1.00 0.00 H new ATOM 619 N GLN A 116 63.978 1.640 8.573 1.00 0.00 N ATOM 620 CA GLN A 116 63.944 2.724 9.529 1.00 0.00 C ATOM 621 C GLN A 116 64.565 3.944 8.970 1.00 0.00 C ATOM 622 O GLN A 116 64.353 5.017 9.459 1.00 0.00 O ATOM 623 CB GLN A 116 64.606 2.350 10.839 1.00 0.00 C ATOM 624 CG GLN A 116 63.640 1.844 11.901 1.00 0.00 C ATOM 625 CD GLN A 116 62.889 0.639 11.428 1.00 0.00 C ATOM 626 OE1 GLN A 116 63.280 -0.491 11.661 1.00 0.00 O ATOM 627 NE2 GLN A 116 61.849 0.887 10.712 1.00 0.00 N ATOM 0 H GLN A 116 64.568 0.858 8.857 1.00 0.00 H new ATOM 0 HA GLN A 116 62.894 2.929 9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.355 1.581 10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.134 3.220 11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.191 1.598 12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 116 62.936 2.635 12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 116 61.562 1.852 10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.311 0.119 10.311 1.00 0.00 H new ATOM 636 N ARG A 117 65.295 3.785 7.919 1.00 0.00 N ATOM 637 CA ARG A 117 65.864 4.944 7.262 1.00 0.00 C ATOM 638 C ARG A 117 64.711 5.707 6.640 1.00 0.00 C ATOM 639 O ARG A 117 64.569 6.907 6.803 1.00 0.00 O ATOM 640 CB ARG A 117 66.862 4.592 6.142 1.00 0.00 C ATOM 641 CG ARG A 117 67.653 5.809 5.693 1.00 0.00 C ATOM 642 CD ARG A 117 68.638 5.493 4.600 1.00 0.00 C ATOM 643 NE ARG A 117 69.490 6.659 4.288 1.00 0.00 N ATOM 644 CZ ARG A 117 70.751 6.837 4.732 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.268 6.001 5.626 1.00 0.00 N ATOM 646 NH2 ARG A 117 71.471 7.875 4.303 1.00 0.00 N ATOM 0 H ARG A 117 65.517 2.886 7.491 1.00 0.00 H new ATOM 0 HA ARG A 117 66.415 5.517 8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.548 3.822 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.323 4.174 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 117 66.963 6.577 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 117 68.186 6.226 6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 117 69.264 4.654 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.102 5.182 3.703 1.00 0.00 H new ATOM 0 HE ARG A 117 69.094 7.385 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 117 70.711 5.222 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 117 72.222 6.138 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 117 71.068 8.535 3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 117 72.425 8.008 4.640 1.00 0.00 H new ATOM 660 N HIS A 118 63.856 4.968 5.994 1.00 0.00 N ATOM 661 CA HIS A 118 62.729 5.515 5.295 1.00 0.00 C ATOM 662 C HIS A 118 61.602 5.862 6.260 1.00 0.00 C ATOM 663 O HIS A 118 60.721 6.646 5.943 1.00 0.00 O ATOM 664 CB HIS A 118 62.246 4.531 4.255 1.00 0.00 C ATOM 665 CG HIS A 118 63.333 4.106 3.249 1.00 0.00 C ATOM 666 ND1 HIS A 118 64.169 4.975 2.574 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.706 2.893 2.840 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.983 4.264 1.810 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.747 2.994 1.926 1.00 0.00 N ATOM 0 H HIS A 118 63.923 3.952 5.937 1.00 0.00 H new ATOM 0 HA HIS A 118 63.042 6.435 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.863 3.643 4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.412 4.973 3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.263 1.966 3.172 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.745 4.687 1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 118 65.225 2.231 1.447 1.00 0.00 H new ATOM 677 N LEU A 119 61.634 5.270 7.430 1.00 0.00 N ATOM 678 CA LEU A 119 60.616 5.525 8.433 1.00 0.00 C ATOM 679 C LEU A 119 61.016 6.647 9.350 1.00 0.00 C ATOM 680 O LEU A 119 60.315 7.624 9.458 1.00 0.00 O ATOM 681 CB LEU A 119 60.291 4.284 9.253 1.00 0.00 C ATOM 682 CG LEU A 119 59.955 3.018 8.481 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.276 1.998 9.366 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.103 3.327 7.309 1.00 0.00 C ATOM 0 H LEU A 119 62.354 4.606 7.716 1.00 0.00 H new ATOM 0 HA LEU A 119 59.718 5.816 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.143 4.071 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.448 4.518 9.904 1.00 0.00 H new ATOM 0 HG LEU A 119 60.893 2.590 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.049 1.105 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 119 59.937 1.735 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.351 2.418 9.762 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.875 2.406 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.175 3.790 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.631 4.013 6.646 1.00 0.00 H new ATOM 696 N ASP A 120 62.144 6.493 10.009 1.00 0.00 N ATOM 697 CA ASP A 120 62.669 7.521 10.945 1.00 0.00 C ATOM 698 C ASP A 120 62.966 8.821 10.250 1.00 0.00 C ATOM 699 O ASP A 120 62.440 9.864 10.613 1.00 0.00 O ATOM 700 CB ASP A 120 63.945 7.056 11.590 1.00 0.00 C ATOM 701 CG ASP A 120 64.522 8.061 12.569 1.00 0.00 C ATOM 702 OD1 ASP A 120 63.836 8.433 13.550 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.678 8.501 12.360 1.00 0.00 O ATOM 0 H ASP A 120 62.735 5.666 9.927 1.00 0.00 H new ATOM 0 HA ASP A 120 61.889 7.675 11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 120 63.760 6.117 12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.682 6.850 10.814 1.00 0.00 H new ATOM 708 N LYS A 121 63.807 8.752 9.231 1.00 0.00 N ATOM 709 CA LYS A 121 64.221 9.944 8.501 1.00 0.00 C ATOM 710 C LYS A 121 63.126 10.337 7.542 1.00 0.00 C ATOM 711 O LYS A 121 63.113 11.441 6.989 1.00 0.00 O ATOM 712 CB LYS A 121 65.512 9.681 7.751 1.00 0.00 C ATOM 713 CG LYS A 121 66.583 9.038 8.608 1.00 0.00 C ATOM 714 CD LYS A 121 67.892 8.914 7.863 1.00 0.00 C ATOM 715 CE LYS A 121 68.880 8.039 8.613 1.00 0.00 C ATOM 716 NZ LYS A 121 69.187 8.549 9.970 1.00 0.00 N ATOM 0 H LYS A 121 64.218 7.883 8.889 1.00 0.00 H new ATOM 0 HA LYS A 121 64.398 10.758 9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.303 9.036 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 121 65.891 10.622 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 121 66.732 9.631 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.250 8.050 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 121 67.710 8.493 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.322 9.904 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.476 7.030 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 121 69.804 7.969 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 69.963 7.993 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 69.470 9.548 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.343 8.464 10.572 1.00 0.00 H new ATOM 730 N LYS A 122 62.211 9.393 7.353 1.00 0.00 N ATOM 731 CA LYS A 122 61.013 9.557 6.565 1.00 0.00 C ATOM 732 C LYS A 122 61.336 9.826 5.092 1.00 0.00 C ATOM 733 O LYS A 122 60.714 10.646 4.443 1.00 0.00 O ATOM 734 CB LYS A 122 60.137 10.651 7.166 1.00 0.00 C ATOM 735 CG LYS A 122 59.795 10.459 8.623 1.00 0.00 C ATOM 736 CD LYS A 122 58.957 11.599 9.156 1.00 0.00 C ATOM 737 CE LYS A 122 58.502 11.318 10.572 1.00 0.00 C ATOM 738 NZ LYS A 122 57.698 12.421 11.119 1.00 0.00 N ATOM 0 H LYS A 122 62.294 8.462 7.762 1.00 0.00 H new ATOM 0 HA LYS A 122 60.453 8.622 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 122 60.645 11.608 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.211 10.710 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.255 9.521 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 122 60.713 10.379 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 122 59.535 12.523 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.089 11.749 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 122 57.917 10.399 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 122 59.372 11.154 11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 57.406 12.190 12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 58.265 13.293 11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 56.854 12.562 10.528 1.00 0.00 H new ATOM 752 N GLN A 123 62.316 9.109 4.588 1.00 0.00 N ATOM 753 CA GLN A 123 62.718 9.176 3.168 1.00 0.00 C ATOM 754 C GLN A 123 61.538 8.728 2.290 1.00 0.00 C ATOM 755 O GLN A 123 60.683 7.932 2.736 1.00 0.00 O ATOM 756 CB GLN A 123 63.839 8.184 2.913 1.00 0.00 C ATOM 757 CG GLN A 123 64.952 8.150 3.953 1.00 0.00 C ATOM 758 CD GLN A 123 65.865 9.354 3.990 1.00 0.00 C ATOM 759 OE1 GLN A 123 65.495 10.465 3.640 1.00 0.00 O ATOM 760 NE2 GLN A 123 67.057 9.123 4.477 1.00 0.00 N ATOM 0 H GLN A 123 62.870 8.454 5.140 1.00 0.00 H new ATOM 0 HA GLN A 123 63.028 10.196 2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 123 63.405 7.187 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.282 8.409 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.498 8.033 4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.561 7.263 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 123 67.320 8.178 4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 123 67.724 9.888 4.578 1.00 0.00 H new ATOM 769 N ARG A 124 61.500 9.176 1.058 1.00 0.00 N ATOM 770 CA ARG A 124 60.434 8.765 0.187 1.00 0.00 C ATOM 771 C ARG A 124 60.927 7.849 -0.929 1.00 0.00 C ATOM 772 O ARG A 124 61.682 8.245 -1.819 1.00 0.00 O ATOM 773 CB ARG A 124 59.590 9.946 -0.328 1.00 0.00 C ATOM 774 CG ARG A 124 60.301 10.957 -1.204 1.00 0.00 C ATOM 775 CD ARG A 124 59.356 12.091 -1.538 1.00 0.00 C ATOM 776 NE ARG A 124 59.940 13.059 -2.464 1.00 0.00 N ATOM 777 CZ ARG A 124 59.938 14.385 -2.295 1.00 0.00 C ATOM 778 NH1 ARG A 124 59.422 14.926 -1.195 1.00 0.00 N ATOM 779 NH2 ARG A 124 60.439 15.169 -3.232 1.00 0.00 N ATOM 0 H ARG A 124 62.182 9.813 0.645 1.00 0.00 H new ATOM 0 HA ARG A 124 59.752 8.168 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 124 58.747 9.543 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 124 59.178 10.472 0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 124 61.182 11.343 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 124 60.650 10.479 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 124 58.444 11.682 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 124 59.069 12.602 -0.619 1.00 0.00 H new ATOM 0 HE ARG A 124 60.385 12.694 -3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 124 59.023 14.328 -0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 124 59.425 15.939 -1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 124 60.827 14.763 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 124 60.438 16.181 -3.104 1.00 0.00 H new ATOM 793 N PHE A 125 60.514 6.623 -0.835 1.00 0.00 N ATOM 794 CA PHE A 125 60.845 5.553 -1.786 1.00 0.00 C ATOM 795 C PHE A 125 59.634 5.309 -2.677 1.00 0.00 C ATOM 796 O PHE A 125 58.704 6.107 -2.673 1.00 0.00 O ATOM 797 CB PHE A 125 61.207 4.239 -1.020 1.00 0.00 C ATOM 798 CG PHE A 125 60.265 3.892 0.113 1.00 0.00 C ATOM 799 CD1 PHE A 125 58.948 4.257 0.067 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.694 3.215 1.221 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.113 3.976 1.051 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.814 2.935 2.234 1.00 0.00 C ATOM 803 CZ PHE A 125 58.540 3.318 2.132 1.00 0.00 C ATOM 0 H PHE A 125 59.914 6.306 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 125 61.704 5.850 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.221 3.412 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.217 4.333 -0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.581 4.790 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.725 2.901 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.079 4.280 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 125 60.151 2.405 3.113 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.848 3.094 2.930 1.00 0.00 H new ATOM 813 N HIS A 126 59.614 4.214 -3.366 1.00 0.00 N ATOM 814 CA HIS A 126 58.504 3.867 -4.192 1.00 0.00 C ATOM 815 C HIS A 126 57.677 2.767 -3.466 1.00 0.00 C ATOM 816 O HIS A 126 58.220 2.041 -2.674 1.00 0.00 O ATOM 817 CB HIS A 126 59.047 3.358 -5.519 1.00 0.00 C ATOM 818 CG HIS A 126 58.026 3.330 -6.574 1.00 0.00 C ATOM 819 ND1 HIS A 126 58.142 3.967 -7.765 1.00 0.00 N ATOM 820 CD2 HIS A 126 56.840 2.740 -6.573 1.00 0.00 C ATOM 821 CE1 HIS A 126 57.032 3.750 -8.446 1.00 0.00 C ATOM 822 NE2 HIS A 126 56.198 2.997 -7.763 1.00 0.00 N ATOM 0 H HIS A 126 60.372 3.531 -3.371 1.00 0.00 H new ATOM 0 HA HIS A 126 57.856 4.724 -4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 126 59.874 3.993 -5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.450 2.354 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 126 56.439 2.149 -5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 126 56.835 4.140 -9.434 1.00 0.00 H new ATOM 0 HE2 HIS A 126 55.275 2.673 -8.052 1.00 0.00 H new ATOM 830 N ASN A 127 56.359 2.716 -3.700 1.00 0.00 N ATOM 831 CA ASN A 127 55.428 1.688 -3.118 1.00 0.00 C ATOM 832 C ASN A 127 54.955 0.723 -4.188 1.00 0.00 C ATOM 833 O ASN A 127 54.414 1.140 -5.193 1.00 0.00 O ATOM 834 CB ASN A 127 54.203 2.372 -2.504 1.00 0.00 C ATOM 835 CG ASN A 127 54.497 3.060 -1.209 1.00 0.00 C ATOM 836 OD1 ASN A 127 53.614 3.274 -0.394 1.00 0.00 O ATOM 837 ND2 ASN A 127 55.737 3.347 -0.974 1.00 0.00 N ATOM 0 H ASN A 127 55.884 3.387 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 127 55.975 1.140 -2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 127 53.809 3.100 -3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.423 1.628 -2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.003 3.766 -0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.448 3.154 -1.680 1.00 0.00 H new ATOM 844 N ILE A 128 55.172 -0.569 -3.995 1.00 0.00 N ATOM 845 CA ILE A 128 54.817 -1.545 -4.991 1.00 0.00 C ATOM 846 C ILE A 128 53.853 -2.566 -4.385 1.00 0.00 C ATOM 847 O ILE A 128 53.759 -2.683 -3.177 1.00 0.00 O ATOM 848 CB ILE A 128 56.110 -2.242 -5.579 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.008 -1.198 -6.256 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.754 -3.348 -6.572 1.00 0.00 C ATOM 851 CD1 ILE A 128 57.831 -0.313 -5.369 1.00 0.00 C ATOM 0 H ILE A 128 55.594 -0.958 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 128 54.315 -1.047 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 128 56.647 -2.701 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.686 -1.723 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.376 -0.560 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.668 -3.802 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.153 -4.107 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.186 -2.924 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.415 0.374 -5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.173 0.256 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.504 -0.925 -4.768 1.00 0.00 H new ATOM 863 N ARG A 129 53.131 -3.259 -5.205 1.00 0.00 N ATOM 864 CA ARG A 129 52.191 -4.235 -4.756 1.00 0.00 C ATOM 865 C ARG A 129 52.907 -5.436 -4.134 1.00 0.00 C ATOM 866 O ARG A 129 53.513 -6.247 -4.837 1.00 0.00 O ATOM 867 CB ARG A 129 51.345 -4.681 -5.926 1.00 0.00 C ATOM 868 CG ARG A 129 50.188 -5.574 -5.562 1.00 0.00 C ATOM 869 CD ARG A 129 49.264 -4.889 -4.593 1.00 0.00 C ATOM 870 NE ARG A 129 47.952 -5.535 -4.582 1.00 0.00 N ATOM 871 CZ ARG A 129 47.184 -5.777 -3.516 1.00 0.00 C ATOM 872 NH1 ARG A 129 47.612 -5.505 -2.288 1.00 0.00 N ATOM 873 NH2 ARG A 129 45.985 -6.325 -3.694 1.00 0.00 N ATOM 0 H ARG A 129 53.178 -3.162 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 129 51.555 -3.790 -3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 129 50.959 -3.798 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 129 51.982 -5.206 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 129 49.638 -5.849 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 129 50.562 -6.499 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.695 -4.914 -3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.155 -3.840 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 129 47.584 -5.833 -5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 129 48.540 -5.105 -2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 129 47.013 -5.696 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.664 -6.554 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 129 45.387 -6.516 -2.890 1.00 0.00 H new ATOM 887 N GLY A 130 52.905 -5.480 -2.829 1.00 0.00 N ATOM 888 CA GLY A 130 53.443 -6.615 -2.112 1.00 0.00 C ATOM 889 C GLY A 130 54.882 -6.438 -1.704 1.00 0.00 C ATOM 890 O GLY A 130 55.384 -7.187 -0.862 1.00 0.00 O ATOM 0 H GLY A 130 52.535 -4.740 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.840 -6.792 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.357 -7.504 -2.737 1.00 0.00 H new ATOM 894 N ARG A 131 55.556 -5.493 -2.313 1.00 0.00 N ATOM 895 CA ARG A 131 56.934 -5.218 -2.005 1.00 0.00 C ATOM 896 C ARG A 131 57.207 -3.787 -2.322 1.00 0.00 C ATOM 897 O ARG A 131 56.325 -3.102 -2.755 1.00 0.00 O ATOM 898 CB ARG A 131 57.829 -6.084 -2.879 1.00 0.00 C ATOM 899 CG ARG A 131 57.835 -5.671 -4.339 1.00 0.00 C ATOM 900 CD ARG A 131 59.213 -5.212 -4.739 1.00 0.00 C ATOM 901 NE ARG A 131 59.307 -4.850 -6.148 1.00 0.00 N ATOM 902 CZ ARG A 131 60.392 -4.307 -6.718 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.411 -3.871 -5.967 1.00 0.00 N ATOM 904 NH2 ARG A 131 60.438 -4.156 -8.024 1.00 0.00 N ATOM 0 H ARG A 131 55.162 -4.893 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 131 57.130 -5.428 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.848 -6.043 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.502 -7.121 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.526 -6.509 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.114 -4.870 -4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.495 -4.353 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 131 59.930 -6.004 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 131 58.494 -5.021 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.366 -3.950 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 131 62.232 -3.459 -6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 131 59.650 -4.452 -8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 131 61.262 -3.743 -8.461 1.00 0.00 H new ATOM 918 N TRP A 132 58.400 -3.311 -2.090 1.00 0.00 N ATOM 919 CA TRP A 132 58.769 -2.114 -2.750 1.00 0.00 C ATOM 920 C TRP A 132 60.227 -2.037 -3.162 1.00 0.00 C ATOM 921 O TRP A 132 60.955 -3.046 -3.123 1.00 0.00 O ATOM 922 CB TRP A 132 58.276 -0.864 -2.074 1.00 0.00 C ATOM 923 CG TRP A 132 58.687 -0.499 -0.735 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.899 -0.112 0.212 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.028 -0.399 -0.229 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.625 0.234 1.294 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.966 0.048 1.022 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.229 -0.671 -0.734 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.140 0.243 1.805 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.351 -0.504 -0.028 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.320 -0.048 1.222 1.00 0.00 C ATOM 0 H TRP A 132 59.100 -3.722 -1.473 1.00 0.00 H new ATOM 0 HA TRP A 132 58.224 -2.167 -3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.544 -0.030 -2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.188 -0.922 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.822 -0.072 0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.244 0.579 2.175 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.299 -1.039 -1.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.087 0.608 2.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.302 -0.744 -0.481 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.241 0.089 1.770 1.00 0.00 H new ATOM 942 N THR A 133 60.656 -0.831 -3.542 1.00 0.00 N ATOM 943 CA THR A 133 61.973 -0.569 -3.915 1.00 0.00 C ATOM 944 C THR A 133 62.359 0.833 -3.246 1.00 0.00 C ATOM 945 O THR A 133 61.637 1.849 -3.368 1.00 0.00 O ATOM 946 CB THR A 133 61.990 -0.594 -5.455 1.00 0.00 C ATOM 947 OG1 THR A 133 63.245 -0.645 -5.986 1.00 0.00 O ATOM 948 CG2 THR A 133 61.168 0.512 -6.033 1.00 0.00 C ATOM 0 H THR A 133 60.049 -0.013 -3.587 1.00 0.00 H new ATOM 0 HA THR A 133 62.717 -1.290 -3.578 1.00 0.00 H new ATOM 0 HB THR A 133 61.521 -1.533 -5.747 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.628 -1.534 -5.835 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.204 0.462 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.135 0.411 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.564 1.472 -5.701 1.00 0.00 H new ATOM 956 N GLY A 134 63.411 0.782 -2.450 1.00 0.00 N ATOM 957 CA GLY A 134 63.899 1.863 -1.613 1.00 0.00 C ATOM 958 C GLY A 134 65.347 2.111 -1.868 1.00 0.00 C ATOM 959 O GLY A 134 65.774 1.955 -2.938 1.00 0.00 O ATOM 0 H GLY A 134 63.979 -0.061 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.329 2.770 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.746 1.614 -0.563 1.00 0.00 H new ATOM 963 N ARG A 135 66.110 2.441 -0.882 1.00 0.00 N ATOM 964 CA ARG A 135 67.552 2.696 -1.059 1.00 0.00 C ATOM 965 C ARG A 135 68.244 2.408 0.209 1.00 0.00 C ATOM 966 O ARG A 135 68.108 3.172 1.182 1.00 0.00 O ATOM 967 CB ARG A 135 67.811 4.153 -1.524 1.00 0.00 C ATOM 968 CG ARG A 135 67.405 4.367 -2.969 1.00 0.00 C ATOM 969 CD ARG A 135 67.164 5.792 -3.355 1.00 0.00 C ATOM 970 NE ARG A 135 66.225 6.460 -2.438 1.00 0.00 N ATOM 971 CZ ARG A 135 65.059 7.036 -2.783 1.00 0.00 C ATOM 972 NH1 ARG A 135 64.633 7.013 -4.051 1.00 0.00 N ATOM 973 NH2 ARG A 135 64.330 7.636 -1.843 1.00 0.00 N ATOM 0 H ARG A 135 65.781 2.549 0.077 1.00 0.00 H new ATOM 0 HA ARG A 135 67.942 2.042 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.257 4.841 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 135 68.868 4.389 -1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.184 3.959 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 135 66.498 3.795 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 135 68.111 6.331 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 135 66.769 5.831 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 135 66.482 6.489 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 135 65.194 6.555 -4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 135 63.747 7.453 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 135 64.658 7.654 -0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 135 63.444 8.077 -2.089 1.00 0.00 H new ATOM 987 N CYS A 136 68.932 1.270 0.245 1.00 0.00 N ATOM 988 CA CYS A 136 69.659 0.885 1.418 1.00 0.00 C ATOM 989 C CYS A 136 70.751 1.882 1.718 1.00 0.00 C ATOM 990 O CYS A 136 71.055 2.715 0.899 1.00 0.00 O ATOM 991 CB CYS A 136 70.259 -0.500 1.273 1.00 0.00 C ATOM 992 SG CYS A 136 71.819 -0.737 0.339 1.00 0.00 S ATOM 0 H CYS A 136 68.992 0.610 -0.530 1.00 0.00 H new ATOM 0 HA CYS A 136 68.951 0.866 2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.422 -0.888 2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.504 -1.132 0.806 1.00 0.00 H new ATOM 0 HG CYS A 136 71.630 -1.608 -0.607 1.00 0.00 H new ATOM 997 N MET A 137 71.353 1.766 2.865 1.00 0.00 N ATOM 998 CA MET A 137 72.418 2.685 3.315 1.00 0.00 C ATOM 999 C MET A 137 73.500 2.918 2.294 1.00 0.00 C ATOM 1000 O MET A 137 73.919 4.037 2.073 1.00 0.00 O ATOM 1001 CB MET A 137 72.996 2.212 4.616 1.00 0.00 C ATOM 1002 CG MET A 137 72.002 2.315 5.709 1.00 0.00 C ATOM 1003 SD MET A 137 72.536 1.579 7.261 1.00 0.00 S ATOM 1004 CE MET A 137 72.634 -0.140 6.745 1.00 0.00 C ATOM 0 H MET A 137 71.134 1.032 3.538 1.00 0.00 H new ATOM 0 HA MET A 137 71.943 3.656 3.458 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.326 1.178 4.516 1.00 0.00 H new ATOM 0 HB3 MET A 137 73.876 2.805 4.864 1.00 0.00 H new ATOM 0 HG2 MET A 137 71.772 3.367 5.878 1.00 0.00 H new ATOM 0 HG3 MET A 137 71.077 1.834 5.391 1.00 0.00 H new ATOM 0 HE1 MET A 137 72.125 -0.769 7.476 1.00 0.00 H new ATOM 0 HE2 MET A 137 72.157 -0.256 5.772 1.00 0.00 H new ATOM 0 HE3 MET A 137 73.680 -0.440 6.674 1.00 0.00 H new ATOM 1014 N SER A 138 73.883 1.892 1.658 1.00 0.00 N ATOM 1015 CA SER A 138 74.914 1.959 0.637 1.00 0.00 C ATOM 1016 C SER A 138 74.454 2.817 -0.579 1.00 0.00 C ATOM 1017 O SER A 138 75.222 3.636 -1.118 1.00 0.00 O ATOM 1018 CB SER A 138 75.251 0.543 0.189 1.00 0.00 C ATOM 1019 OG SER A 138 75.545 -0.290 1.316 1.00 0.00 O ATOM 0 H SER A 138 73.505 0.957 1.810 1.00 0.00 H new ATOM 0 HA SER A 138 75.798 2.439 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.414 0.125 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.106 0.564 -0.486 1.00 0.00 H new ATOM 0 HG SER A 138 75.757 -1.195 1.007 1.00 0.00 H new ATOM 1025 N CYS A 139 73.194 2.671 -0.939 1.00 0.00 N ATOM 1026 CA CYS A 139 72.631 3.253 -2.091 1.00 0.00 C ATOM 1027 C CYS A 139 71.944 4.598 -1.840 1.00 0.00 C ATOM 1028 O CYS A 139 71.752 5.404 -2.756 1.00 0.00 O ATOM 1029 CB CYS A 139 71.697 2.260 -2.594 1.00 0.00 C ATOM 1030 SG CYS A 139 72.473 0.704 -3.115 1.00 0.00 S ATOM 0 H CYS A 139 72.528 2.118 -0.400 1.00 0.00 H new ATOM 0 HA CYS A 139 73.413 3.500 -2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.961 2.044 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 139 71.155 2.683 -3.439 1.00 0.00 H new ATOM 0 HG CYS A 139 71.613 -0.265 -3.012 1.00 0.00 H new