USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=26 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 -80:sc= 1.57 USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= -1.07 F(o=-6.2!,f=1.7) USER MOD Set 1.3: A 106 CYS SG : rot 60:sc= 0.881 USER MOD Set 1.4: A 108 LYS NZ :NH3+ -153:sc= -1.4! (180deg=-3.3!) USER MOD Set 1.5: A 136 CYS SG : rot -114:sc= 1.08 USER MOD Set 1.6: A 139 CYS SG : rot 99:sc= 0.673 USER MOD Set 2.1: A 81 TYR OH : rot 180:sc= -0.33 USER MOD Set 2.2: A 91 GLN :FLIP amide:sc= 0.153 F(o=-6.7,f=-4) USER MOD Set 2.3: A 127 ASN :FLIP amide:sc= -3.78! C(o=-6.7!,f=-4!) USER MOD Set 3.1: A 86 THR OG1 : rot -110:sc= 0.67 USER MOD Set 3.2: A 122 LYS NZ :NH3+ -151:sc= 0.706 (180deg=-0.123) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00362 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.658 F(o=-1.7,f=-0.66) USER MOD Single : A 92 TYR OH : rot -87:sc= 0.171 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 1.51 (180deg=2.88e-06!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 107 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.833) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.29 F(o=-7.7!,f=-1.3) USER MOD Single : A 118 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-7.9!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.419 K(o=-0.42,f=-4.4!) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.596 F(o=-1.7,f=-0.6) USER MOD Single : A 133 THR OG1 : rot 73:sc= -5.75! USER MOD Single : A 137 MET CE :methyl -142:sc= -0.489 (180deg=-1.64!) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 81 53.783 4.234 -6.565 1.00 0.00 N ATOM 49 CA TYR A 81 53.983 5.663 -6.364 1.00 0.00 C ATOM 50 C TYR A 81 54.998 5.824 -5.296 1.00 0.00 C ATOM 51 O TYR A 81 55.399 4.842 -4.705 1.00 0.00 O ATOM 52 CB TYR A 81 52.685 6.390 -5.973 1.00 0.00 C ATOM 53 CG TYR A 81 51.974 5.827 -4.769 1.00 0.00 C ATOM 54 CD1 TYR A 81 51.104 4.767 -4.922 1.00 0.00 C ATOM 55 CD2 TYR A 81 52.129 6.367 -3.486 1.00 0.00 C ATOM 56 CE1 TYR A 81 50.408 4.268 -3.892 1.00 0.00 C ATOM 57 CE2 TYR A 81 51.437 5.846 -2.441 1.00 0.00 C ATOM 58 CZ TYR A 81 50.574 4.810 -2.638 1.00 0.00 C ATOM 59 OH TYR A 81 49.846 4.354 -1.584 1.00 0.00 O ATOM 0 HA TYR A 81 54.315 6.110 -7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 81 52.917 7.438 -5.781 1.00 0.00 H new ATOM 0 HB3 TYR A 81 52.003 6.365 -6.823 1.00 0.00 H new ATOM 0 HD1 TYR A 81 50.981 4.327 -5.901 1.00 0.00 H new ATOM 0 HD2 TYR A 81 52.800 7.199 -3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 81 49.723 3.447 -4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 81 51.571 6.254 -1.450 1.00 0.00 H new ATOM 0 HH TYR A 81 50.094 4.850 -0.776 1.00 0.00 H new ATOM 69 N SER A 82 55.406 7.009 -5.021 1.00 0.00 N ATOM 70 CA SER A 82 56.378 7.196 -4.015 1.00 0.00 C ATOM 71 C SER A 82 55.731 7.738 -2.740 1.00 0.00 C ATOM 72 O SER A 82 54.923 8.667 -2.794 1.00 0.00 O ATOM 73 CB SER A 82 57.482 8.113 -4.502 1.00 0.00 C ATOM 74 OG SER A 82 58.133 7.565 -5.648 1.00 0.00 O ATOM 0 H SER A 82 55.081 7.861 -5.479 1.00 0.00 H new ATOM 0 HA SER A 82 56.826 6.230 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.066 9.090 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 82 58.209 8.268 -3.705 1.00 0.00 H new ATOM 0 HG SER A 82 58.840 8.175 -5.945 1.00 0.00 H new ATOM 80 N LEU A 83 56.112 7.201 -1.608 1.00 0.00 N ATOM 81 CA LEU A 83 55.497 7.588 -0.361 1.00 0.00 C ATOM 82 C LEU A 83 56.549 7.693 0.729 1.00 0.00 C ATOM 83 O LEU A 83 57.670 7.176 0.582 1.00 0.00 O ATOM 84 CB LEU A 83 54.471 6.529 0.054 1.00 0.00 C ATOM 85 CG LEU A 83 53.474 6.939 1.166 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.418 7.902 0.701 1.00 0.00 C ATOM 87 CD2 LEU A 83 52.894 5.755 1.871 1.00 0.00 C ATOM 0 H LEU A 83 56.844 6.496 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 83 55.010 8.554 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 83 53.900 6.241 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.010 5.642 0.388 1.00 0.00 H new ATOM 0 HG LEU A 83 54.064 7.488 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 83 51.756 8.145 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 83 52.892 8.813 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 83 51.840 7.447 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.201 6.094 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.362 5.129 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 83 53.695 5.178 2.332 1.00 0.00 H new ATOM 99 N TYR A 84 56.208 8.389 1.783 1.00 0.00 N ATOM 100 CA TYR A 84 57.006 8.434 2.979 1.00 0.00 C ATOM 101 C TYR A 84 56.883 7.142 3.677 1.00 0.00 C ATOM 102 O TYR A 84 55.773 6.706 4.024 1.00 0.00 O ATOM 103 CB TYR A 84 56.576 9.579 3.875 1.00 0.00 C ATOM 104 CG TYR A 84 57.505 10.749 3.813 1.00 0.00 C ATOM 105 CD1 TYR A 84 57.949 11.241 2.604 1.00 0.00 C ATOM 106 CD2 TYR A 84 57.964 11.335 4.972 1.00 0.00 C ATOM 107 CE1 TYR A 84 58.839 12.290 2.551 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.848 12.391 4.944 1.00 0.00 C ATOM 109 CZ TYR A 84 59.288 12.865 3.723 1.00 0.00 C ATOM 110 OH TYR A 84 60.197 13.899 3.668 1.00 0.00 O ATOM 0 H TYR A 84 55.356 8.948 1.834 1.00 0.00 H new ATOM 0 HA TYR A 84 58.049 8.607 2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.575 9.901 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.515 9.225 4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.594 10.797 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.623 10.958 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.184 12.661 1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.192 12.842 5.863 1.00 0.00 H new ATOM 0 HH TYR A 84 60.412 14.194 4.577 1.00 0.00 H new ATOM 120 N GLY A 85 58.014 6.517 3.868 1.00 0.00 N ATOM 121 CA GLY A 85 58.056 5.231 4.450 1.00 0.00 C ATOM 122 C GLY A 85 57.474 5.155 5.767 1.00 0.00 C ATOM 123 O GLY A 85 56.783 4.207 6.081 1.00 0.00 O ATOM 0 H GLY A 85 58.927 6.899 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.536 4.532 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.094 4.904 4.505 1.00 0.00 H new ATOM 127 N THR A 86 57.762 6.133 6.527 1.00 0.00 N ATOM 128 CA THR A 86 57.278 6.300 7.883 1.00 0.00 C ATOM 129 C THR A 86 55.738 6.040 7.978 1.00 0.00 C ATOM 130 O THR A 86 55.250 5.590 9.003 1.00 0.00 O ATOM 131 CB THR A 86 57.633 7.737 8.384 1.00 0.00 C ATOM 132 OG1 THR A 86 57.209 7.968 9.735 1.00 0.00 O ATOM 133 CG2 THR A 86 57.033 8.781 7.472 1.00 0.00 C ATOM 0 H THR A 86 58.373 6.893 6.228 1.00 0.00 H new ATOM 0 HA THR A 86 57.766 5.564 8.522 1.00 0.00 H new ATOM 0 HB THR A 86 58.720 7.817 8.364 1.00 0.00 H new ATOM 0 HG1 THR A 86 56.465 8.605 9.740 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.291 9.775 7.837 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.425 8.652 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.949 8.671 7.456 1.00 0.00 H new ATOM 141 N THR A 87 55.013 6.299 6.894 1.00 0.00 N ATOM 142 CA THR A 87 53.592 6.124 6.846 1.00 0.00 C ATOM 143 C THR A 87 53.187 4.711 6.270 1.00 0.00 C ATOM 144 O THR A 87 52.062 4.321 6.359 1.00 0.00 O ATOM 145 CB THR A 87 52.988 7.251 5.980 1.00 0.00 C ATOM 146 OG1 THR A 87 53.713 8.473 6.245 1.00 0.00 O ATOM 147 CG2 THR A 87 51.529 7.488 6.337 1.00 0.00 C ATOM 0 H THR A 87 55.415 6.640 6.021 1.00 0.00 H new ATOM 0 HA THR A 87 53.200 6.173 7.862 1.00 0.00 H new ATOM 0 HB THR A 87 53.059 6.960 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 87 53.342 9.198 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 87 51.127 8.286 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 87 50.960 6.574 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 87 51.453 7.774 7.386 1.00 0.00 H new ATOM 155 N LEU A 88 54.130 3.969 5.700 1.00 0.00 N ATOM 156 CA LEU A 88 53.878 2.652 5.000 1.00 0.00 C ATOM 157 C LEU A 88 53.134 1.586 5.811 1.00 0.00 C ATOM 158 O LEU A 88 52.626 0.618 5.241 1.00 0.00 O ATOM 159 CB LEU A 88 55.196 2.078 4.542 1.00 0.00 C ATOM 160 CG LEU A 88 55.400 1.936 3.051 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.586 0.824 2.498 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.031 3.203 2.364 1.00 0.00 C ATOM 0 H LEU A 88 55.113 4.242 5.695 1.00 0.00 H new ATOM 0 HA LEU A 88 53.212 2.899 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.995 2.707 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.313 1.094 4.995 1.00 0.00 H new ATOM 0 HG LEU A 88 56.453 1.714 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.755 0.748 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.874 -0.111 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.530 1.018 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.181 3.092 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 88 53.984 3.433 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.657 4.014 2.736 1.00 0.00 H new ATOM 174 N GLU A 89 53.059 1.749 7.094 1.00 0.00 N ATOM 175 CA GLU A 89 52.395 0.781 7.936 1.00 0.00 C ATOM 176 C GLU A 89 50.871 0.767 7.708 1.00 0.00 C ATOM 177 O GLU A 89 50.217 -0.264 7.888 1.00 0.00 O ATOM 178 CB GLU A 89 52.783 1.015 9.381 1.00 0.00 C ATOM 179 CG GLU A 89 54.275 0.783 9.647 1.00 0.00 C ATOM 180 CD GLU A 89 54.684 1.248 11.008 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.970 2.440 11.182 1.00 0.00 O ATOM 182 OE2 GLU A 89 54.725 0.423 11.943 1.00 0.00 O ATOM 0 H GLU A 89 53.450 2.548 7.593 1.00 0.00 H new ATOM 0 HA GLU A 89 52.730 -0.219 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.525 2.037 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.199 0.353 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.500 -0.279 9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.863 1.308 8.894 1.00 0.00 H new ATOM 189 N GLN A 90 50.333 1.894 7.267 1.00 0.00 N ATOM 190 CA GLN A 90 48.897 2.019 6.949 1.00 0.00 C ATOM 191 C GLN A 90 48.609 1.561 5.577 1.00 0.00 C ATOM 192 O GLN A 90 47.553 1.036 5.273 1.00 0.00 O ATOM 193 CB GLN A 90 48.458 3.468 7.150 1.00 0.00 C ATOM 194 CG GLN A 90 49.224 4.616 6.427 1.00 0.00 C ATOM 195 CD GLN A 90 49.113 4.764 4.895 1.00 0.00 C ATOM 196 OE1 GLN A 90 50.234 5.157 4.291 1.00 0.00 O flip ATOM 197 NE2 GLN A 90 48.089 4.476 4.280 1.00 0.00 N flip ATOM 0 H GLN A 90 50.866 2.750 7.116 1.00 0.00 H new ATOM 0 HA GLN A 90 48.330 1.378 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 90 47.412 3.536 6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.497 3.674 8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.895 5.556 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 90 50.281 4.504 6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 90 47.255 4.180 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 90 48.073 4.533 3.262 1.00 0.00 H new ATOM 206 N GLN A 91 49.579 1.748 4.801 1.00 0.00 N ATOM 207 CA GLN A 91 49.536 1.527 3.369 1.00 0.00 C ATOM 208 C GLN A 91 49.082 0.120 2.983 1.00 0.00 C ATOM 209 O GLN A 91 47.982 -0.061 2.449 1.00 0.00 O ATOM 210 CB GLN A 91 50.889 1.861 2.759 1.00 0.00 C ATOM 211 CG GLN A 91 50.805 2.821 1.599 1.00 0.00 C ATOM 212 CD GLN A 91 50.109 2.230 0.415 1.00 0.00 C ATOM 213 OE1 GLN A 91 50.875 1.734 -0.511 1.00 0.00 O flip ATOM 214 NE2 GLN A 91 48.890 2.298 0.297 1.00 0.00 N flip ATOM 0 H GLN A 91 50.488 2.076 5.128 1.00 0.00 H new ATOM 0 HA GLN A 91 48.778 2.196 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.530 2.289 3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.365 0.940 2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 91 50.278 3.721 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 91 51.811 3.126 1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 91 48.326 2.695 1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 91 48.440 1.958 -0.553 1.00 0.00 H new ATOM 223 N TYR A 92 49.894 -0.856 3.277 1.00 0.00 N ATOM 224 CA TYR A 92 49.605 -2.215 2.875 1.00 0.00 C ATOM 225 C TYR A 92 48.852 -2.997 3.910 1.00 0.00 C ATOM 226 O TYR A 92 48.294 -4.061 3.624 1.00 0.00 O ATOM 227 CB TYR A 92 50.885 -2.921 2.518 1.00 0.00 C ATOM 228 CG TYR A 92 51.430 -2.383 1.248 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.913 -2.787 0.031 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.399 -1.417 1.258 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.361 -2.244 -1.139 1.00 0.00 C ATOM 232 CE2 TYR A 92 52.843 -0.852 0.094 1.00 0.00 C ATOM 233 CZ TYR A 92 52.320 -1.273 -1.106 1.00 0.00 C ATOM 234 OH TYR A 92 52.716 -0.685 -2.270 1.00 0.00 O ATOM 0 H TYR A 92 50.765 -0.741 3.795 1.00 0.00 H new ATOM 0 HA TYR A 92 48.952 -2.154 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.614 -2.794 3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.703 -3.991 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 92 50.143 -3.544 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 92 52.820 -1.096 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.960 -2.580 -2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.599 -0.081 0.117 1.00 0.00 H new ATOM 0 HH TYR A 92 53.433 -1.215 -2.677 1.00 0.00 H new ATOM 244 N ASN A 93 48.873 -2.470 5.125 1.00 0.00 N ATOM 245 CA ASN A 93 48.326 -3.119 6.359 1.00 0.00 C ATOM 246 C ASN A 93 49.271 -4.213 6.803 1.00 0.00 C ATOM 247 O ASN A 93 49.083 -4.889 7.821 1.00 0.00 O ATOM 248 CB ASN A 93 46.880 -3.650 6.223 1.00 0.00 C ATOM 249 CG ASN A 93 45.845 -2.549 6.047 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.334 -1.997 7.030 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.498 -2.245 4.822 1.00 0.00 N ATOM 0 H ASN A 93 49.278 -1.552 5.310 1.00 0.00 H new ATOM 0 HA ASN A 93 48.258 -2.340 7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 93 46.828 -4.327 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.631 -4.234 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.786 -1.534 4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 93 45.939 -2.719 4.034 1.00 0.00 H new ATOM 258 N LYS A 94 50.289 -4.354 6.025 1.00 0.00 N ATOM 259 CA LYS A 94 51.372 -5.194 6.246 1.00 0.00 C ATOM 260 C LYS A 94 52.537 -4.211 6.210 1.00 0.00 C ATOM 261 O LYS A 94 52.749 -3.513 5.215 1.00 0.00 O ATOM 262 CB LYS A 94 51.397 -6.318 5.154 1.00 0.00 C ATOM 263 CG LYS A 94 52.232 -6.087 3.926 1.00 0.00 C ATOM 264 CD LYS A 94 53.475 -6.920 4.032 1.00 0.00 C ATOM 265 CE LYS A 94 53.301 -8.281 3.374 1.00 0.00 C ATOM 266 NZ LYS A 94 54.204 -9.294 3.899 1.00 0.00 N ATOM 0 H LYS A 94 50.373 -3.834 5.152 1.00 0.00 H new ATOM 0 HA LYS A 94 51.372 -5.759 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 94 51.745 -7.236 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 94 50.371 -6.494 4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 94 51.671 -6.356 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 94 52.490 -5.032 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 94 54.306 -6.393 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 94 53.734 -7.054 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 94 52.272 -8.615 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 94 53.463 -8.181 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 54.260 -10.089 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 55.150 -8.882 4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 53.848 -9.636 4.815 1.00 0.00 H new ATOM 280 N PRO A 95 53.191 -4.015 7.334 1.00 0.00 N ATOM 281 CA PRO A 95 54.199 -2.980 7.469 1.00 0.00 C ATOM 282 C PRO A 95 55.504 -3.376 6.836 1.00 0.00 C ATOM 283 O PRO A 95 55.653 -4.487 6.381 1.00 0.00 O ATOM 284 CB PRO A 95 54.369 -2.874 8.983 1.00 0.00 C ATOM 285 CG PRO A 95 54.101 -4.252 9.477 1.00 0.00 C ATOM 286 CD PRO A 95 53.037 -4.807 8.567 1.00 0.00 C ATOM 0 HA PRO A 95 53.907 -2.051 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.373 -2.544 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.672 -2.154 9.413 1.00 0.00 H new ATOM 0 HG2 PRO A 95 55.003 -4.863 9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.763 -4.238 10.513 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.183 -5.871 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 95 52.042 -4.692 8.996 1.00 0.00 H new ATOM 294 N LEU A 96 56.446 -2.458 6.835 1.00 0.00 N ATOM 295 CA LEU A 96 57.811 -2.695 6.372 1.00 0.00 C ATOM 296 C LEU A 96 58.385 -3.929 7.005 1.00 0.00 C ATOM 297 O LEU A 96 58.937 -4.748 6.330 1.00 0.00 O ATOM 298 CB LEU A 96 58.648 -1.499 6.720 1.00 0.00 C ATOM 299 CG LEU A 96 58.412 -0.300 5.867 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.470 0.613 6.518 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.693 0.369 5.549 1.00 0.00 C ATOM 0 H LEU A 96 56.289 -1.504 7.161 1.00 0.00 H new ATOM 0 HA LEU A 96 57.805 -2.847 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.458 -1.231 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.700 -1.776 6.649 1.00 0.00 H new ATOM 0 HG LEU A 96 57.965 -0.618 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.308 1.483 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.521 0.102 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.878 0.934 7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.502 1.242 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.179 0.682 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.342 -0.324 5.014 1.00 0.00 H new ATOM 313 N SER A 97 58.143 -4.105 8.275 1.00 0.00 N ATOM 314 CA SER A 97 58.627 -5.241 9.041 1.00 0.00 C ATOM 315 C SER A 97 58.046 -6.590 8.530 1.00 0.00 C ATOM 316 O SER A 97 58.486 -7.668 8.935 1.00 0.00 O ATOM 317 CB SER A 97 58.237 -4.986 10.474 1.00 0.00 C ATOM 318 OG SER A 97 58.668 -3.680 10.832 1.00 0.00 O ATOM 0 H SER A 97 57.590 -3.450 8.828 1.00 0.00 H new ATOM 0 HA SER A 97 59.708 -5.335 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 97 57.157 -5.075 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.693 -5.728 11.129 1.00 0.00 H new ATOM 0 HG SER A 97 58.420 -3.497 11.762 1.00 0.00 H new ATOM 324 N ASP A 98 57.073 -6.507 7.647 1.00 0.00 N ATOM 325 CA ASP A 98 56.458 -7.671 7.059 1.00 0.00 C ATOM 326 C ASP A 98 56.590 -7.657 5.555 1.00 0.00 C ATOM 327 O ASP A 98 56.591 -8.700 4.916 1.00 0.00 O ATOM 328 CB ASP A 98 54.995 -7.731 7.437 1.00 0.00 C ATOM 329 CG ASP A 98 54.365 -9.048 7.045 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.971 -10.112 7.271 1.00 0.00 O ATOM 331 OD2 ASP A 98 53.267 -9.042 6.455 1.00 0.00 O ATOM 0 H ASP A 98 56.686 -5.623 7.317 1.00 0.00 H new ATOM 0 HA ASP A 98 56.972 -8.552 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.892 -7.585 8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.461 -6.914 6.952 1.00 0.00 H new ATOM 336 N LEU A 99 56.743 -6.493 4.990 1.00 0.00 N ATOM 337 CA LEU A 99 56.730 -6.336 3.565 1.00 0.00 C ATOM 338 C LEU A 99 58.102 -6.637 3.027 1.00 0.00 C ATOM 339 O LEU A 99 59.115 -6.245 3.647 1.00 0.00 O ATOM 340 CB LEU A 99 56.306 -4.886 3.247 1.00 0.00 C ATOM 341 CG LEU A 99 56.050 -4.495 1.778 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.766 -5.099 1.281 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.028 -2.993 1.616 1.00 0.00 C ATOM 0 H LEU A 99 56.881 -5.624 5.507 1.00 0.00 H new ATOM 0 HA LEU A 99 56.025 -7.022 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.395 -4.677 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.079 -4.223 3.636 1.00 0.00 H new ATOM 0 HG LEU A 99 56.869 -4.890 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.606 -4.810 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.824 -6.185 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 99 53.936 -4.741 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 99 55.846 -2.742 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.235 -2.572 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 99 56.988 -2.579 1.926 1.00 0.00 H new ATOM 355 N LEU A 100 58.162 -7.405 1.954 1.00 0.00 N ATOM 356 CA LEU A 100 59.412 -7.630 1.312 1.00 0.00 C ATOM 357 C LEU A 100 59.753 -6.314 0.708 1.00 0.00 C ATOM 358 O LEU A 100 58.985 -5.731 -0.015 1.00 0.00 O ATOM 359 CB LEU A 100 59.329 -8.688 0.236 1.00 0.00 C ATOM 360 CG LEU A 100 60.657 -9.485 -0.074 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.475 -10.384 -1.263 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.856 -8.577 -0.328 1.00 0.00 C ATOM 0 H LEU A 100 57.362 -7.871 1.525 1.00 0.00 H new ATOM 0 HA LEU A 100 60.158 -7.993 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.560 -9.405 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 100 58.994 -8.212 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 100 60.863 -10.073 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.403 -10.922 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.677 -11.098 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.214 -9.785 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.736 -9.186 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.651 -7.934 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.039 -7.962 0.553 1.00 0.00 H new ATOM 374 N ILE A 101 60.830 -5.833 1.042 1.00 0.00 N ATOM 375 CA ILE A 101 61.180 -4.546 0.689 1.00 0.00 C ATOM 376 C ILE A 101 62.611 -4.562 0.227 1.00 0.00 C ATOM 377 O ILE A 101 63.391 -5.285 0.782 1.00 0.00 O ATOM 378 CB ILE A 101 60.945 -3.720 1.935 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.695 -2.886 1.753 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.157 -2.883 2.318 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.177 -2.235 2.957 1.00 0.00 C ATOM 0 H ILE A 101 61.533 -6.329 1.590 1.00 0.00 H new ATOM 0 HA ILE A 101 60.602 -4.123 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 101 60.792 -4.395 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.900 -2.117 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.912 -3.525 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.934 -2.310 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 101 63.007 -3.539 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.399 -2.200 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.282 -1.666 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.930 -2.991 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.933 -1.562 3.361 1.00 0.00 H new ATOM 393 N ARG A 102 62.955 -3.807 -0.803 1.00 0.00 N ATOM 394 CA ARG A 102 64.308 -3.901 -1.361 1.00 0.00 C ATOM 395 C ARG A 102 64.836 -2.573 -1.782 1.00 0.00 C ATOM 396 O ARG A 102 64.082 -1.666 -2.036 1.00 0.00 O ATOM 397 CB ARG A 102 64.321 -4.802 -2.594 1.00 0.00 C ATOM 398 CG ARG A 102 63.849 -6.218 -2.396 1.00 0.00 C ATOM 399 CD ARG A 102 63.488 -6.859 -3.725 1.00 0.00 C ATOM 400 NE ARG A 102 63.075 -8.240 -3.587 1.00 0.00 N ATOM 401 CZ ARG A 102 62.251 -8.896 -4.439 1.00 0.00 C ATOM 402 NH1 ARG A 102 61.686 -8.258 -5.464 1.00 0.00 N ATOM 403 NH2 ARG A 102 62.014 -10.183 -4.270 1.00 0.00 N ATOM 0 H ARG A 102 62.340 -3.137 -1.265 1.00 0.00 H new ATOM 0 HA ARG A 102 64.934 -4.310 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.700 -4.339 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.339 -4.833 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.629 -6.801 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 102 62.982 -6.228 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 102 62.685 -6.289 -4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.347 -6.806 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 102 63.433 -8.760 -2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 102 61.873 -7.266 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 102 61.067 -8.762 -6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 102 62.451 -10.685 -3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 102 61.393 -10.676 -4.912 1.00 0.00 H new ATOM 417 N CYS A 103 66.157 -2.482 -1.846 1.00 0.00 N ATOM 418 CA CYS A 103 66.825 -1.364 -2.376 1.00 0.00 C ATOM 419 C CYS A 103 66.331 -1.101 -3.836 1.00 0.00 C ATOM 420 O CYS A 103 65.867 -2.027 -4.521 1.00 0.00 O ATOM 421 CB CYS A 103 68.288 -1.647 -2.430 1.00 0.00 C ATOM 422 SG CYS A 103 69.244 -0.101 -2.498 1.00 0.00 S ATOM 0 H CYS A 103 66.784 -3.216 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 103 66.623 -0.497 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.584 -2.224 -1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.513 -2.257 -3.305 1.00 0.00 H new ATOM 0 HG CYS A 103 69.235 0.362 -3.713 1.00 0.00 H new ATOM 427 N ILE A 104 66.478 0.097 -4.318 1.00 0.00 N ATOM 428 CA ILE A 104 65.985 0.447 -5.624 1.00 0.00 C ATOM 429 C ILE A 104 67.033 0.212 -6.672 1.00 0.00 C ATOM 430 O ILE A 104 66.758 -0.207 -7.789 1.00 0.00 O ATOM 431 CB ILE A 104 65.427 1.899 -5.642 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.596 2.130 -6.867 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.519 2.922 -5.583 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.603 3.198 -6.662 1.00 0.00 C ATOM 0 H ILE A 104 66.941 0.859 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 104 65.148 -0.208 -5.866 1.00 0.00 H new ATOM 0 HB ILE A 104 64.808 2.011 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.245 2.393 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 104 64.085 1.206 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 104 66.083 3.921 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 104 67.092 2.790 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 104 67.178 2.801 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 104 63.021 3.334 -7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.937 2.923 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 104 64.115 4.128 -6.416 1.00 0.00 H new ATOM 446 N ASN A 105 68.236 0.423 -6.267 1.00 0.00 N ATOM 447 CA ASN A 105 69.403 0.222 -7.081 1.00 0.00 C ATOM 448 C ASN A 105 69.951 -1.123 -6.776 1.00 0.00 C ATOM 449 O ASN A 105 70.549 -1.735 -7.622 1.00 0.00 O ATOM 450 CB ASN A 105 70.489 1.243 -6.737 1.00 0.00 C ATOM 451 CG ASN A 105 70.018 2.238 -5.812 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.952 1.796 -4.637 1.00 0.00 O flip ATOM 453 ND2 ASN A 105 69.634 3.355 -6.159 1.00 0.00 N flip ATOM 0 H ASN A 105 68.452 0.753 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 105 69.122 0.326 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.349 0.728 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.832 1.730 -7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.720 3.644 -7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 105 69.229 3.991 -5.472 1.00 0.00 H new ATOM 460 N CYS A 106 69.737 -1.629 -5.551 1.00 0.00 N ATOM 461 CA CYS A 106 70.308 -2.908 -5.280 1.00 0.00 C ATOM 462 C CYS A 106 69.379 -4.056 -5.607 1.00 0.00 C ATOM 463 O CYS A 106 69.827 -5.104 -6.060 1.00 0.00 O ATOM 464 CB CYS A 106 70.832 -3.142 -3.861 1.00 0.00 C ATOM 465 SG CYS A 106 72.243 -2.181 -3.344 1.00 0.00 S ATOM 0 H CYS A 106 69.208 -1.191 -4.796 1.00 0.00 H new ATOM 0 HA CYS A 106 71.169 -2.888 -5.948 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.017 -2.948 -3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.089 -4.197 -3.765 1.00 0.00 H new ATOM 0 HG CYS A 106 71.954 -0.915 -3.411 1.00 0.00 H new ATOM 470 N GLN A 107 68.082 -3.860 -5.305 1.00 0.00 N ATOM 471 CA GLN A 107 67.063 -4.892 -5.352 1.00 0.00 C ATOM 472 C GLN A 107 67.288 -5.915 -4.259 1.00 0.00 C ATOM 473 O GLN A 107 66.715 -7.013 -4.243 1.00 0.00 O ATOM 474 CB GLN A 107 66.925 -5.510 -6.691 1.00 0.00 C ATOM 475 CG GLN A 107 66.416 -4.528 -7.686 1.00 0.00 C ATOM 476 CD GLN A 107 67.470 -4.148 -8.695 1.00 0.00 C ATOM 477 OE1 GLN A 107 68.189 -3.124 -8.384 1.00 0.00 O flip ATOM 478 NE2 GLN A 107 67.617 -4.767 -9.741 1.00 0.00 N flip ATOM 0 H GLN A 107 67.718 -2.952 -5.016 1.00 0.00 H new ATOM 0 HA GLN A 107 66.104 -4.409 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 107 67.891 -5.896 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.245 -6.360 -6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.554 -4.950 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 107 66.071 -3.633 -7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 107 67.024 -5.572 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.332 -4.478 -10.409 1.00 0.00 H new ATOM 487 N LYS A 108 68.097 -5.493 -3.329 1.00 0.00 N ATOM 488 CA LYS A 108 68.434 -6.188 -2.140 1.00 0.00 C ATOM 489 C LYS A 108 67.407 -5.870 -1.131 1.00 0.00 C ATOM 490 O LYS A 108 67.160 -4.711 -0.871 1.00 0.00 O ATOM 491 CB LYS A 108 69.718 -5.630 -1.634 1.00 0.00 C ATOM 492 CG LYS A 108 70.100 -6.158 -0.298 1.00 0.00 C ATOM 493 CD LYS A 108 71.061 -5.254 0.397 1.00 0.00 C ATOM 494 CE LYS A 108 70.337 -4.096 1.046 1.00 0.00 C ATOM 495 NZ LYS A 108 71.276 -3.275 1.832 1.00 0.00 N ATOM 0 H LYS A 108 68.566 -4.590 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 108 68.505 -7.260 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.511 -5.856 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.638 -4.544 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.207 -6.280 0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.546 -7.146 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.612 -5.814 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.793 -4.877 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.861 -3.483 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.544 -4.472 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.762 -2.801 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.017 -3.884 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.712 -2.560 1.215 1.00 0.00 H new ATOM 509 N PRO A 109 66.812 -6.851 -0.559 1.00 0.00 N ATOM 510 CA PRO A 109 65.826 -6.640 0.435 1.00 0.00 C ATOM 511 C PRO A 109 66.390 -5.971 1.716 1.00 0.00 C ATOM 512 O PRO A 109 67.258 -6.530 2.405 1.00 0.00 O ATOM 513 CB PRO A 109 65.226 -8.004 0.708 1.00 0.00 C ATOM 514 CG PRO A 109 66.004 -8.980 -0.116 1.00 0.00 C ATOM 515 CD PRO A 109 67.062 -8.249 -0.845 1.00 0.00 C ATOM 0 HA PRO A 109 65.070 -5.936 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.291 -8.252 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.170 -8.024 0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.445 -9.746 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.345 -9.491 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.054 -8.550 -0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.014 -8.448 -1.916 1.00 0.00 H new ATOM 523 N LEU A 110 65.897 -4.767 1.987 1.00 0.00 N ATOM 524 CA LEU A 110 66.302 -3.952 3.120 1.00 0.00 C ATOM 525 C LEU A 110 65.562 -4.436 4.305 1.00 0.00 C ATOM 526 O LEU A 110 64.363 -4.707 4.240 1.00 0.00 O ATOM 527 CB LEU A 110 65.964 -2.471 2.869 1.00 0.00 C ATOM 528 CG LEU A 110 66.263 -1.899 1.507 1.00 0.00 C ATOM 529 CD1 LEU A 110 66.017 -0.416 1.518 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.673 -2.175 1.137 1.00 0.00 C ATOM 0 H LEU A 110 65.186 -4.322 1.407 1.00 0.00 H new ATOM 0 HA LEU A 110 67.378 -4.031 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.900 -2.334 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.502 -1.876 3.607 1.00 0.00 H new ATOM 0 HG LEU A 110 65.609 -2.367 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.234 -0.004 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.975 -0.222 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.664 0.055 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.879 -1.758 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.338 -1.718 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.840 -3.252 1.117 1.00 0.00 H new ATOM 542 N SER A 111 66.256 -4.590 5.350 1.00 0.00 N ATOM 543 CA SER A 111 65.711 -5.069 6.571 1.00 0.00 C ATOM 544 C SER A 111 65.299 -3.851 7.405 1.00 0.00 C ATOM 545 O SER A 111 65.533 -2.720 6.938 1.00 0.00 O ATOM 546 CB SER A 111 66.787 -5.930 7.225 1.00 0.00 C ATOM 547 OG SER A 111 67.277 -6.873 6.271 1.00 0.00 O ATOM 0 H SER A 111 67.254 -4.384 5.396 1.00 0.00 H new ATOM 0 HA SER A 111 64.820 -5.685 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 111 67.602 -5.303 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.377 -6.450 8.091 1.00 0.00 H new ATOM 0 HG SER A 111 67.970 -7.428 6.686 1.00 0.00 H new ATOM 553 N PRO A 112 64.634 -4.022 8.609 1.00 0.00 N ATOM 554 CA PRO A 112 64.200 -2.896 9.478 1.00 0.00 C ATOM 555 C PRO A 112 65.244 -1.786 9.588 1.00 0.00 C ATOM 556 O PRO A 112 64.904 -0.621 9.647 1.00 0.00 O ATOM 557 CB PRO A 112 63.977 -3.571 10.822 1.00 0.00 C ATOM 558 CG PRO A 112 63.468 -4.919 10.457 1.00 0.00 C ATOM 559 CD PRO A 112 64.215 -5.323 9.208 1.00 0.00 C ATOM 0 HA PRO A 112 63.319 -2.391 9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 112 64.901 -3.634 11.397 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.259 -3.023 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 112 63.641 -5.632 11.263 1.00 0.00 H new ATOM 0 HG3 PRO A 112 62.393 -4.895 10.278 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.074 -5.952 9.441 1.00 0.00 H new ATOM 0 HD3 PRO A 112 63.580 -5.891 8.528 1.00 0.00 H new ATOM 567 N GLU A 113 66.507 -2.173 9.547 1.00 0.00 N ATOM 568 CA GLU A 113 67.625 -1.246 9.549 1.00 0.00 C ATOM 569 C GLU A 113 67.525 -0.188 8.435 1.00 0.00 C ATOM 570 O GLU A 113 67.473 1.002 8.709 1.00 0.00 O ATOM 571 CB GLU A 113 68.940 -2.014 9.459 1.00 0.00 C ATOM 572 CG GLU A 113 68.981 -3.126 8.399 1.00 0.00 C ATOM 573 CD GLU A 113 70.299 -3.850 8.407 1.00 0.00 C ATOM 574 OE1 GLU A 113 70.789 -4.202 9.503 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.860 -4.102 7.327 1.00 0.00 O ATOM 0 H GLU A 113 66.788 -3.153 9.511 1.00 0.00 H new ATOM 0 HA GLU A 113 67.592 -0.700 10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 113 69.742 -1.306 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.151 -2.455 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.174 -3.835 8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 113 68.807 -2.696 7.413 1.00 0.00 H new ATOM 582 N GLU A 114 67.418 -0.623 7.196 1.00 0.00 N ATOM 583 CA GLU A 114 67.396 0.278 6.083 1.00 0.00 C ATOM 584 C GLU A 114 65.984 0.806 5.827 1.00 0.00 C ATOM 585 O GLU A 114 65.792 1.829 5.199 1.00 0.00 O ATOM 586 CB GLU A 114 68.030 -0.433 4.920 1.00 0.00 C ATOM 587 CG GLU A 114 69.522 -0.569 5.126 1.00 0.00 C ATOM 588 CD GLU A 114 70.187 -1.565 4.247 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.567 -2.551 3.859 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.369 -1.403 3.965 1.00 0.00 O ATOM 0 H GLU A 114 67.345 -1.608 6.942 1.00 0.00 H new ATOM 0 HA GLU A 114 67.976 1.180 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.583 -1.420 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.833 0.117 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.986 0.404 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.707 -0.842 6.165 1.00 0.00 H new ATOM 597 N LYS A 115 65.019 0.104 6.375 1.00 0.00 N ATOM 598 CA LYS A 115 63.613 0.523 6.405 1.00 0.00 C ATOM 599 C LYS A 115 63.451 1.719 7.300 1.00 0.00 C ATOM 600 O LYS A 115 62.710 2.634 6.996 1.00 0.00 O ATOM 601 CB LYS A 115 62.801 -0.624 6.950 1.00 0.00 C ATOM 602 CG LYS A 115 62.584 -1.726 5.937 1.00 0.00 C ATOM 603 CD LYS A 115 61.961 -3.007 6.502 1.00 0.00 C ATOM 604 CE LYS A 115 61.642 -3.927 5.363 1.00 0.00 C ATOM 605 NZ LYS A 115 61.405 -5.336 5.748 1.00 0.00 N ATOM 0 H LYS A 115 65.180 -0.797 6.826 1.00 0.00 H new ATOM 0 HA LYS A 115 63.280 0.791 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.305 -1.036 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.834 -0.250 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.942 -1.347 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.543 -1.975 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.650 -3.489 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.057 -2.772 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.757 -3.552 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.464 -3.894 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.578 -5.953 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.049 -5.598 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.421 -5.449 6.065 1.00 0.00 H new ATOM 619 N GLN A 116 64.196 1.730 8.389 1.00 0.00 N ATOM 620 CA GLN A 116 64.159 2.813 9.362 1.00 0.00 C ATOM 621 C GLN A 116 64.734 4.063 8.807 1.00 0.00 C ATOM 622 O GLN A 116 64.554 5.111 9.343 1.00 0.00 O ATOM 623 CB GLN A 116 64.845 2.403 10.656 1.00 0.00 C ATOM 624 CG GLN A 116 63.892 2.217 11.856 1.00 0.00 C ATOM 625 CD GLN A 116 62.809 1.116 11.698 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.408 0.811 10.479 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 62.366 0.529 12.686 1.00 0.00 N flip ATOM 0 H GLN A 116 64.849 0.984 8.628 1.00 0.00 H new ATOM 0 HA GLN A 116 63.114 3.019 9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.382 1.470 10.487 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.589 3.157 10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.490 1.987 12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.392 3.166 12.049 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.692 0.783 13.619 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.673 -0.211 12.572 1.00 0.00 H new ATOM 636 N ARG A 117 65.356 3.951 7.699 1.00 0.00 N ATOM 637 CA ARG A 117 65.863 5.129 7.019 1.00 0.00 C ATOM 638 C ARG A 117 64.669 5.857 6.440 1.00 0.00 C ATOM 639 O ARG A 117 64.555 7.074 6.500 1.00 0.00 O ATOM 640 CB ARG A 117 66.783 4.741 5.877 1.00 0.00 C ATOM 641 CG ARG A 117 67.381 5.919 5.164 1.00 0.00 C ATOM 642 CD ARG A 117 68.459 5.487 4.227 1.00 0.00 C ATOM 643 NE ARG A 117 69.446 4.680 4.959 1.00 0.00 N ATOM 644 CZ ARG A 117 69.448 3.350 4.995 1.00 0.00 C ATOM 645 NH1 ARG A 117 68.821 2.646 4.051 1.00 0.00 N ATOM 646 NH2 ARG A 117 70.096 2.738 5.960 1.00 0.00 N ATOM 0 H ARG A 117 65.539 3.067 7.224 1.00 0.00 H new ATOM 0 HA ARG A 117 66.423 5.746 7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.586 4.115 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.226 4.137 5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 117 66.604 6.447 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 117 67.787 6.621 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 117 68.034 4.907 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.942 6.358 3.784 1.00 0.00 H new ATOM 0 HE ARG A 117 70.177 5.172 5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 117 68.335 3.127 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 117 68.827 1.627 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 117 70.589 3.282 6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 117 70.107 1.719 6.001 1.00 0.00 H new ATOM 660 N HIS A 118 63.760 5.078 5.941 1.00 0.00 N ATOM 661 CA HIS A 118 62.584 5.572 5.293 1.00 0.00 C ATOM 662 C HIS A 118 61.505 5.885 6.315 1.00 0.00 C ATOM 663 O HIS A 118 60.529 6.572 6.019 1.00 0.00 O ATOM 664 CB HIS A 118 62.086 4.542 4.286 1.00 0.00 C ATOM 665 CG HIS A 118 63.128 4.176 3.218 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.775 5.092 2.432 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.689 2.996 2.910 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.713 4.448 1.719 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.693 3.175 1.969 1.00 0.00 N ATOM 0 H HIS A 118 63.816 4.060 5.973 1.00 0.00 H new ATOM 0 HA HIS A 118 62.828 6.495 4.766 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.790 3.638 4.819 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.193 4.928 3.794 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.401 2.045 3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.393 4.926 1.030 1.00 0.00 H new ATOM 0 HE2 HIS A 118 65.290 2.456 1.560 1.00 0.00 H new ATOM 677 N LEU A 119 61.674 5.365 7.510 1.00 0.00 N ATOM 678 CA LEU A 119 60.726 5.594 8.586 1.00 0.00 C ATOM 679 C LEU A 119 61.180 6.719 9.491 1.00 0.00 C ATOM 680 O LEU A 119 60.486 7.702 9.650 1.00 0.00 O ATOM 681 CB LEU A 119 60.499 4.337 9.411 1.00 0.00 C ATOM 682 CG LEU A 119 60.195 3.058 8.648 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.636 1.993 9.560 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.267 3.320 7.525 1.00 0.00 C ATOM 0 H LEU A 119 62.466 4.775 7.766 1.00 0.00 H new ATOM 0 HA LEU A 119 59.783 5.877 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.387 4.166 10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.674 4.526 10.098 1.00 0.00 H new ATOM 0 HG LEU A 119 61.135 2.689 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.429 1.092 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.361 1.766 10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.713 2.352 10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 119 59.065 2.389 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.333 3.727 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.719 4.037 6.840 1.00 0.00 H new ATOM 696 N ASP A 120 62.342 6.548 10.082 1.00 0.00 N ATOM 697 CA ASP A 120 62.948 7.556 10.985 1.00 0.00 C ATOM 698 C ASP A 120 63.253 8.832 10.250 1.00 0.00 C ATOM 699 O ASP A 120 62.731 9.897 10.569 1.00 0.00 O ATOM 700 CB ASP A 120 64.255 7.031 11.544 1.00 0.00 C ATOM 701 CG ASP A 120 64.883 7.942 12.576 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.358 8.033 13.712 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.960 8.522 12.308 1.00 0.00 O ATOM 0 H ASP A 120 62.911 5.710 9.962 1.00 0.00 H new ATOM 0 HA ASP A 120 62.230 7.750 11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 120 64.082 6.053 11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.958 6.885 10.724 1.00 0.00 H new ATOM 708 N LYS A 121 64.088 8.708 9.240 1.00 0.00 N ATOM 709 CA LYS A 121 64.545 9.851 8.463 1.00 0.00 C ATOM 710 C LYS A 121 63.564 10.136 7.355 1.00 0.00 C ATOM 711 O LYS A 121 63.701 11.093 6.589 1.00 0.00 O ATOM 712 CB LYS A 121 65.947 9.582 7.947 1.00 0.00 C ATOM 713 CG LYS A 121 66.854 9.141 9.076 1.00 0.00 C ATOM 714 CD LYS A 121 68.313 9.059 8.712 1.00 0.00 C ATOM 715 CE LYS A 121 68.585 8.184 7.533 1.00 0.00 C ATOM 716 NZ LYS A 121 70.048 8.024 7.318 1.00 0.00 N ATOM 0 H LYS A 121 64.471 7.815 8.931 1.00 0.00 H new ATOM 0 HA LYS A 121 64.593 10.743 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.915 8.812 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.348 10.482 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 121 66.739 9.835 9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.525 8.163 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.684 10.062 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.873 8.684 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.127 7.207 7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 121 68.127 8.614 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.213 7.412 6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 70.478 8.956 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 70.478 7.592 8.161 1.00 0.00 H new ATOM 730 N LYS A 122 62.589 9.240 7.282 1.00 0.00 N ATOM 731 CA LYS A 122 61.404 9.343 6.464 1.00 0.00 C ATOM 732 C LYS A 122 61.707 9.512 4.987 1.00 0.00 C ATOM 733 O LYS A 122 60.921 10.104 4.261 1.00 0.00 O ATOM 734 CB LYS A 122 60.534 10.468 6.982 1.00 0.00 C ATOM 735 CG LYS A 122 60.274 10.396 8.457 1.00 0.00 C ATOM 736 CD LYS A 122 59.322 11.460 8.918 1.00 0.00 C ATOM 737 CE LYS A 122 59.139 11.408 10.419 1.00 0.00 C ATOM 738 NZ LYS A 122 58.736 10.054 10.921 1.00 0.00 N ATOM 0 H LYS A 122 62.612 8.377 7.825 1.00 0.00 H new ATOM 0 HA LYS A 122 60.866 8.398 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.011 11.421 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.581 10.453 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.868 9.415 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.216 10.496 8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 122 59.698 12.441 8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.358 11.330 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 122 60.070 11.705 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.382 12.136 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 58.171 10.159 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 58.170 9.569 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 59.587 9.493 11.128 1.00 0.00 H new ATOM 752 N GLN A 123 62.816 8.939 4.547 1.00 0.00 N ATOM 753 CA GLN A 123 63.220 9.021 3.146 1.00 0.00 C ATOM 754 C GLN A 123 62.123 8.439 2.260 1.00 0.00 C ATOM 755 O GLN A 123 61.616 7.334 2.521 1.00 0.00 O ATOM 756 CB GLN A 123 64.509 8.248 2.899 1.00 0.00 C ATOM 757 CG GLN A 123 65.647 8.513 3.855 1.00 0.00 C ATOM 758 CD GLN A 123 66.164 9.922 3.931 1.00 0.00 C ATOM 759 OE1 GLN A 123 65.455 10.904 3.737 1.00 0.00 O ATOM 760 NE2 GLN A 123 67.421 10.010 4.229 1.00 0.00 N ATOM 0 H GLN A 123 63.456 8.410 5.139 1.00 0.00 H new ATOM 0 HA GLN A 123 63.386 10.071 2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 123 64.279 7.183 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.853 8.472 1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.326 8.216 4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.477 7.862 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 123 67.969 9.164 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 123 67.863 10.926 4.312 1.00 0.00 H new ATOM 769 N ARG A 124 61.774 9.163 1.238 1.00 0.00 N ATOM 770 CA ARG A 124 60.705 8.778 0.360 1.00 0.00 C ATOM 771 C ARG A 124 61.190 7.717 -0.620 1.00 0.00 C ATOM 772 O ARG A 124 62.218 7.879 -1.256 1.00 0.00 O ATOM 773 CB ARG A 124 60.186 10.007 -0.393 1.00 0.00 C ATOM 774 CG ARG A 124 58.887 9.774 -1.140 1.00 0.00 C ATOM 775 CD ARG A 124 58.434 11.022 -1.869 1.00 0.00 C ATOM 776 NE ARG A 124 57.067 10.879 -2.399 1.00 0.00 N ATOM 777 CZ ARG A 124 56.496 11.682 -3.309 1.00 0.00 C ATOM 778 NH1 ARG A 124 57.198 12.642 -3.898 1.00 0.00 N ATOM 779 NH2 ARG A 124 55.227 11.496 -3.640 1.00 0.00 N ATOM 0 H ARG A 124 62.225 10.043 0.987 1.00 0.00 H new ATOM 0 HA ARG A 124 59.890 8.357 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 124 60.043 10.821 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.947 10.333 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 124 59.018 8.961 -1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 124 58.114 9.460 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 124 58.474 11.874 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 124 59.121 11.234 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 124 56.507 10.104 -2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 124 58.181 12.774 -3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 124 56.755 13.247 -4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 124 54.691 10.746 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 124 54.786 12.103 -4.331 1.00 0.00 H new ATOM 793 N PHE A 125 60.455 6.651 -0.719 1.00 0.00 N ATOM 794 CA PHE A 125 60.766 5.550 -1.629 1.00 0.00 C ATOM 795 C PHE A 125 59.580 5.309 -2.527 1.00 0.00 C ATOM 796 O PHE A 125 58.620 6.066 -2.486 1.00 0.00 O ATOM 797 CB PHE A 125 61.111 4.248 -0.857 1.00 0.00 C ATOM 798 CG PHE A 125 60.139 3.874 0.238 1.00 0.00 C ATOM 799 CD1 PHE A 125 58.814 4.222 0.172 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.568 3.236 1.355 1.00 0.00 C ATOM 801 CE1 PHE A 125 57.970 3.924 1.150 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.692 2.949 2.365 1.00 0.00 C ATOM 803 CZ PHE A 125 58.407 3.285 2.244 1.00 0.00 C ATOM 0 H PHE A 125 59.608 6.503 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 125 61.640 5.826 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.165 3.425 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.103 4.356 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.450 4.751 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.606 2.953 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 125 56.928 4.197 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 125 60.040 2.452 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.713 3.040 3.034 1.00 0.00 H new ATOM 813 N HIS A 126 59.614 4.248 -3.262 1.00 0.00 N ATOM 814 CA HIS A 126 58.541 3.901 -4.125 1.00 0.00 C ATOM 815 C HIS A 126 57.764 2.726 -3.478 1.00 0.00 C ATOM 816 O HIS A 126 58.343 1.971 -2.748 1.00 0.00 O ATOM 817 CB HIS A 126 59.123 3.507 -5.478 1.00 0.00 C ATOM 818 CG HIS A 126 58.108 3.471 -6.540 1.00 0.00 C ATOM 819 ND1 HIS A 126 57.004 2.744 -6.617 1.00 0.00 N flip ATOM 820 CD2 HIS A 126 58.140 4.243 -7.660 1.00 0.00 C flip ATOM 821 CE1 HIS A 126 56.338 3.048 -7.780 1.00 0.00 C flip ATOM 822 NE2 HIS A 126 57.064 3.963 -8.369 1.00 0.00 N flip ATOM 0 H HIS A 126 60.396 3.593 -3.279 1.00 0.00 H new ATOM 0 HA HIS A 126 57.854 4.734 -4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 126 59.906 4.214 -5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.593 2.527 -5.396 1.00 0.00 H new ATOM 0 HD2 HIS A 126 58.908 4.956 -7.921 1.00 0.00 H new ATOM 0 HE1 HIS A 126 55.411 2.621 -8.133 1.00 0.00 H new ATOM 0 HE2 HIS A 126 56.829 4.402 -9.259 1.00 0.00 H new ATOM 830 N ASN A 127 56.447 2.654 -3.704 1.00 0.00 N ATOM 831 CA ASN A 127 55.535 1.573 -3.209 1.00 0.00 C ATOM 832 C ASN A 127 55.116 0.677 -4.340 1.00 0.00 C ATOM 833 O ASN A 127 54.656 1.158 -5.356 1.00 0.00 O ATOM 834 CB ASN A 127 54.265 2.166 -2.587 1.00 0.00 C ATOM 835 CG ASN A 127 54.489 2.740 -1.228 1.00 0.00 C ATOM 836 OD1 ASN A 127 55.700 3.129 -0.963 1.00 0.00 O flip ATOM 837 ND2 ASN A 127 53.576 2.796 -0.410 1.00 0.00 N flip ATOM 0 H ASN A 127 55.955 3.360 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 127 56.087 1.006 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 127 53.876 2.944 -3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.502 1.390 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 127 52.641 2.478 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 127 53.752 3.161 0.526 1.00 0.00 H new ATOM 844 N ILE A 128 55.314 -0.622 -4.190 1.00 0.00 N ATOM 845 CA ILE A 128 54.981 -1.559 -5.226 1.00 0.00 C ATOM 846 C ILE A 128 54.039 -2.627 -4.641 1.00 0.00 C ATOM 847 O ILE A 128 53.937 -2.754 -3.426 1.00 0.00 O ATOM 848 CB ILE A 128 56.296 -2.196 -5.853 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.204 -1.083 -6.403 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.951 -3.154 -6.986 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.026 -0.306 -5.430 1.00 0.00 C ATOM 0 H ILE A 128 55.708 -1.045 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 128 54.466 -1.050 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 128 56.811 -2.747 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.882 -1.533 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.576 -0.378 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.868 -3.576 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.321 -3.958 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.417 -2.615 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.613 0.441 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.370 0.191 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.696 -0.982 -4.899 1.00 0.00 H new ATOM 863 N ARG A 129 53.334 -3.347 -5.474 1.00 0.00 N ATOM 864 CA ARG A 129 52.400 -4.343 -5.018 1.00 0.00 C ATOM 865 C ARG A 129 53.134 -5.519 -4.372 1.00 0.00 C ATOM 866 O ARG A 129 53.787 -6.307 -5.056 1.00 0.00 O ATOM 867 CB ARG A 129 51.562 -4.851 -6.181 1.00 0.00 C ATOM 868 CG ARG A 129 50.239 -5.456 -5.766 1.00 0.00 C ATOM 869 CD ARG A 129 49.340 -4.374 -5.199 1.00 0.00 C ATOM 870 NE ARG A 129 47.990 -4.843 -4.908 1.00 0.00 N ATOM 871 CZ ARG A 129 46.864 -4.106 -5.004 1.00 0.00 C ATOM 872 NH1 ARG A 129 46.888 -2.891 -5.571 1.00 0.00 N ATOM 873 NH2 ARG A 129 45.714 -4.611 -4.574 1.00 0.00 N ATOM 0 H ARG A 129 53.391 -3.259 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 129 51.750 -3.880 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.373 -4.026 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 129 52.135 -5.598 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 129 49.759 -5.929 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 129 50.402 -6.235 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.786 -3.982 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.286 -3.547 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 129 47.888 -5.812 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 129 47.764 -2.515 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 129 46.031 -2.343 -5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.687 -5.549 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 129 44.858 -4.061 -4.643 1.00 0.00 H new ATOM 887 N GLY A 130 53.097 -5.563 -3.065 1.00 0.00 N ATOM 888 CA GLY A 130 53.637 -6.690 -2.331 1.00 0.00 C ATOM 889 C GLY A 130 55.049 -6.476 -1.856 1.00 0.00 C ATOM 890 O GLY A 130 55.538 -7.209 -0.989 1.00 0.00 O ATOM 0 H GLY A 130 52.697 -4.829 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.999 -6.892 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.606 -7.575 -2.966 1.00 0.00 H new ATOM 894 N ARG A 131 55.732 -5.537 -2.454 1.00 0.00 N ATOM 895 CA ARG A 131 57.079 -5.218 -2.075 1.00 0.00 C ATOM 896 C ARG A 131 57.345 -3.799 -2.430 1.00 0.00 C ATOM 897 O ARG A 131 56.501 -3.168 -3.001 1.00 0.00 O ATOM 898 CB ARG A 131 58.045 -6.085 -2.849 1.00 0.00 C ATOM 899 CG ARG A 131 58.091 -5.772 -4.326 1.00 0.00 C ATOM 900 CD ARG A 131 59.482 -5.386 -4.711 1.00 0.00 C ATOM 901 NE ARG A 131 59.674 -5.357 -6.150 1.00 0.00 N ATOM 902 CZ ARG A 131 60.619 -4.682 -6.795 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.425 -3.840 -6.138 1.00 0.00 N ATOM 904 NH2 ARG A 131 60.762 -4.846 -8.092 1.00 0.00 N ATOM 0 H ARG A 131 55.367 -4.971 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 131 57.206 -5.385 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 131 59.044 -5.965 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.768 -7.131 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.770 -6.640 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.400 -4.962 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.710 -4.404 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 131 60.187 -6.090 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 131 59.025 -5.904 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.317 -3.711 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 131 62.147 -3.327 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 131 60.150 -5.488 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 131 61.485 -4.331 -8.594 1.00 0.00 H new ATOM 918 N TRP A 132 58.500 -3.275 -2.120 1.00 0.00 N ATOM 919 CA TRP A 132 58.844 -2.071 -2.768 1.00 0.00 C ATOM 920 C TRP A 132 60.305 -1.949 -3.182 1.00 0.00 C ATOM 921 O TRP A 132 61.036 -2.958 -3.245 1.00 0.00 O ATOM 922 CB TRP A 132 58.310 -0.850 -2.079 1.00 0.00 C ATOM 923 CG TRP A 132 58.700 -0.474 -0.732 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.892 -0.090 0.209 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.034 -0.348 -0.208 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.604 0.262 1.303 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.950 0.096 1.045 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.244 -0.597 -0.697 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.111 0.305 1.843 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.356 -0.412 0.030 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.300 0.038 1.277 1.00 0.00 C ATOM 0 H TRP A 132 59.178 -3.650 -1.456 1.00 0.00 H new ATOM 0 HA TRP A 132 58.316 -2.130 -3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.550 -0.002 -2.720 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.224 -0.947 -2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.815 -0.057 0.130 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.209 0.598 2.181 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.335 -0.959 -1.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.039 0.663 2.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.317 -0.634 -0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.211 0.190 1.837 1.00 0.00 H new ATOM 942 N THR A 133 60.729 -0.715 -3.497 1.00 0.00 N ATOM 943 CA THR A 133 62.058 -0.431 -3.832 1.00 0.00 C ATOM 944 C THR A 133 62.423 0.986 -3.161 1.00 0.00 C ATOM 945 O THR A 133 61.705 1.993 -3.312 1.00 0.00 O ATOM 946 CB THR A 133 62.123 -0.461 -5.368 1.00 0.00 C ATOM 947 OG1 THR A 133 63.399 -0.493 -5.870 1.00 0.00 O ATOM 948 CG2 THR A 133 61.299 0.634 -5.965 1.00 0.00 C ATOM 0 H THR A 133 60.116 0.100 -3.515 1.00 0.00 H new ATOM 0 HA THR A 133 62.795 -1.143 -3.461 1.00 0.00 H new ATOM 0 HB THR A 133 61.684 -1.411 -5.672 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.787 -1.380 -5.720 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.365 0.587 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.260 0.516 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.671 1.599 -5.620 1.00 0.00 H new ATOM 956 N GLY A 134 63.464 0.958 -2.337 1.00 0.00 N ATOM 957 CA GLY A 134 63.939 2.068 -1.511 1.00 0.00 C ATOM 958 C GLY A 134 65.414 2.317 -1.732 1.00 0.00 C ATOM 959 O GLY A 134 65.876 2.163 -2.793 1.00 0.00 O ATOM 0 H GLY A 134 64.031 0.118 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.375 2.970 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.758 1.847 -0.459 1.00 0.00 H new ATOM 963 N ARG A 135 66.152 2.680 -0.739 1.00 0.00 N ATOM 964 CA ARG A 135 67.610 2.832 -0.893 1.00 0.00 C ATOM 965 C ARG A 135 68.267 2.360 0.337 1.00 0.00 C ATOM 966 O ARG A 135 68.017 2.908 1.426 1.00 0.00 O ATOM 967 CB ARG A 135 68.093 4.287 -1.147 1.00 0.00 C ATOM 968 CG ARG A 135 67.705 4.957 -2.462 1.00 0.00 C ATOM 969 CD ARG A 135 66.297 5.522 -2.471 1.00 0.00 C ATOM 970 NE ARG A 135 65.989 6.136 -3.777 1.00 0.00 N ATOM 971 CZ ARG A 135 64.829 6.722 -4.131 1.00 0.00 C ATOM 972 NH1 ARG A 135 63.851 6.873 -3.251 1.00 0.00 N ATOM 973 NH2 ARG A 135 64.675 7.198 -5.358 1.00 0.00 N ATOM 0 H ARG A 135 65.798 2.883 0.196 1.00 0.00 H new ATOM 0 HA ARG A 135 67.874 2.249 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.719 4.909 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 135 69.181 4.293 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.410 5.761 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 135 67.800 4.232 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 135 65.580 4.729 -2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 135 66.193 6.265 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 135 66.727 6.115 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 135 63.972 6.544 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 135 62.977 7.318 -3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 135 65.435 7.121 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 135 63.797 7.642 -5.626 1.00 0.00 H new ATOM 987 N CYS A 136 69.059 1.308 0.225 1.00 0.00 N ATOM 988 CA CYS A 136 69.851 0.908 1.361 1.00 0.00 C ATOM 989 C CYS A 136 70.915 1.993 1.653 1.00 0.00 C ATOM 990 O CYS A 136 71.110 2.874 0.840 1.00 0.00 O ATOM 991 CB CYS A 136 70.544 -0.425 1.104 1.00 0.00 C ATOM 992 SG CYS A 136 72.024 -0.470 0.020 1.00 0.00 S ATOM 0 H CYS A 136 69.166 0.736 -0.613 1.00 0.00 H new ATOM 0 HA CYS A 136 69.189 0.792 2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.833 -0.836 2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.804 -1.103 0.678 1.00 0.00 H new ATOM 0 HG CYS A 136 71.752 -1.143 -1.058 1.00 0.00 H new ATOM 997 N MET A 137 71.586 1.894 2.799 1.00 0.00 N ATOM 998 CA MET A 137 72.675 2.836 3.228 1.00 0.00 C ATOM 999 C MET A 137 73.568 3.245 2.096 1.00 0.00 C ATOM 1000 O MET A 137 73.727 4.439 1.829 1.00 0.00 O ATOM 1001 CB MET A 137 73.584 2.198 4.255 1.00 0.00 C ATOM 1002 CG MET A 137 72.909 1.592 5.432 1.00 0.00 C ATOM 1003 SD MET A 137 74.066 0.725 6.495 1.00 0.00 S ATOM 1004 CE MET A 137 74.651 -0.508 5.331 1.00 0.00 C ATOM 0 H MET A 137 71.404 1.156 3.480 1.00 0.00 H new ATOM 0 HA MET A 137 72.149 3.701 3.632 1.00 0.00 H new ATOM 0 HB2 MET A 137 74.173 1.425 3.761 1.00 0.00 H new ATOM 0 HB3 MET A 137 74.284 2.953 4.611 1.00 0.00 H new ATOM 0 HG2 MET A 137 72.406 2.372 6.003 1.00 0.00 H new ATOM 0 HG3 MET A 137 72.139 0.899 5.092 1.00 0.00 H new ATOM 0 HE1 MET A 137 74.794 -1.457 5.848 1.00 0.00 H new ATOM 0 HE2 MET A 137 73.916 -0.635 4.536 1.00 0.00 H new ATOM 0 HE3 MET A 137 75.598 -0.182 4.901 1.00 0.00 H new ATOM 1014 N SER A 138 74.102 2.272 1.413 1.00 0.00 N ATOM 1015 CA SER A 138 75.075 2.525 0.369 1.00 0.00 C ATOM 1016 C SER A 138 74.490 3.397 -0.743 1.00 0.00 C ATOM 1017 O SER A 138 75.153 4.276 -1.275 1.00 0.00 O ATOM 1018 CB SER A 138 75.615 1.209 -0.203 1.00 0.00 C ATOM 1019 OG SER A 138 76.198 0.402 0.823 1.00 0.00 O ATOM 0 H SER A 138 73.883 1.286 1.557 1.00 0.00 H new ATOM 0 HA SER A 138 75.904 3.072 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.807 0.660 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.360 1.421 -0.970 1.00 0.00 H new ATOM 0 HG SER A 138 76.533 -0.432 0.432 1.00 0.00 H new ATOM 1025 N CYS A 139 73.230 3.216 -0.989 1.00 0.00 N ATOM 1026 CA CYS A 139 72.563 3.817 -2.045 1.00 0.00 C ATOM 1027 C CYS A 139 71.886 5.095 -1.667 1.00 0.00 C ATOM 1028 O CYS A 139 71.724 5.988 -2.486 1.00 0.00 O ATOM 1029 CB CYS A 139 71.640 2.816 -2.508 1.00 0.00 C ATOM 1030 SG CYS A 139 72.507 1.377 -3.100 1.00 0.00 S ATOM 0 H CYS A 139 72.634 2.615 -0.420 1.00 0.00 H new ATOM 0 HA CYS A 139 73.256 4.127 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.968 2.533 -1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 139 71.022 3.227 -3.306 1.00 0.00 H new ATOM 0 HG CYS A 139 72.522 0.467 -2.172 1.00 0.00 H new