USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 445 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 19 SER OG : rot 161:sc= 0.732 USER MOD Set 1.2: A 21 SER OG : rot -59:sc= 0.8 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.9! C(o=-5.5!,f=-0.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.03 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -100:sc= 1.16 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0185 F(o=-0.54,f=-0.019) USER MOD Single : A 32 THR OG1 : rot 134:sc= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= -0.0599 (180deg=-0.637) USER MOD Single : A 35 THR OG1 : rot 42:sc= 0.184 USER MOD Single : A 44 TYR OH : rot 1:sc= -0.911 USER MOD Single : A 45 LYS NZ :NH3+ 137:sc= -0.077 (180deg=-0.72) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.275 USER MOD Single : A 52 HIS : no HD1:sc= 0.373 K(o=0.37,f=-2.4!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -114:sc= -1.28 (180deg=-3.92!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.608 12.433 -9.880 1.00 1.00 N ATOM 21 CA LYS A 2 -0.606 11.906 -8.941 1.00 1.00 C ATOM 22 C LYS A 2 -0.713 10.383 -8.832 1.00 1.00 C ATOM 23 O LYS A 2 -1.478 9.852 -8.026 1.00 1.00 O ATOM 24 CB LYS A 2 -0.810 12.550 -7.543 1.00 1.00 C ATOM 25 CG LYS A 2 -0.748 14.105 -7.612 1.00 1.00 C ATOM 26 CD LYS A 2 0.684 14.602 -7.927 1.00 1.00 C ATOM 27 CE LYS A 2 0.723 16.136 -7.964 1.00 1.00 C ATOM 28 NZ LYS A 2 2.116 16.566 -8.262 1.00 1.00 N ATOM 0 HA LYS A 2 0.387 12.156 -9.316 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -1.773 12.242 -7.137 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -0.044 12.185 -6.859 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -1.436 14.464 -8.378 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -1.080 14.526 -6.663 1.00 1.00 H new ATOM 0 HD2 LYS A 2 1.378 14.233 -7.172 1.00 1.00 H new ATOM 0 HD3 LYS A 2 1.012 14.200 -8.886 1.00 1.00 H new ATOM 0 HE2 LYS A 2 0.039 16.514 -8.724 1.00 1.00 H new ATOM 0 HE3 LYS A 2 0.396 16.546 -7.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 2.160 17.605 -8.291 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 2.754 16.213 -7.521 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 2.408 16.182 -9.183 1.00 1.00 H new ATOM 42 N THR A 3 0.060 9.689 -9.662 1.00 1.00 N ATOM 43 CA THR A 3 0.061 8.217 -9.685 1.00 1.00 C ATOM 44 C THR A 3 1.488 7.694 -9.649 1.00 1.00 C ATOM 45 O THR A 3 2.443 8.390 -9.992 1.00 1.00 O ATOM 46 CB THR A 3 -0.653 7.723 -10.958 1.00 1.00 C ATOM 47 OG1 THR A 3 0.086 8.137 -12.099 1.00 1.00 O ATOM 48 CG2 THR A 3 -2.072 8.320 -11.026 1.00 1.00 C ATOM 0 H THR A 3 0.698 10.118 -10.332 1.00 1.00 H new ATOM 0 HA THR A 3 -0.468 7.843 -8.808 1.00 1.00 H new ATOM 0 HB THR A 3 -0.721 6.635 -10.935 1.00 1.00 H new ATOM 0 HG1 THR A 3 -0.364 7.823 -12.911 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.572 7.967 -11.928 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.641 8.008 -10.150 1.00 1.00 H new ATOM 0 HG23 THR A 3 -2.008 9.408 -11.048 1.00 1.00 H new ATOM 56 N GLY A 4 1.620 6.441 -9.225 1.00 1.00 N ATOM 57 CA GLY A 4 2.933 5.792 -9.123 1.00 1.00 C ATOM 58 C GLY A 4 2.823 4.321 -9.451 1.00 1.00 C ATOM 59 O GLY A 4 1.735 3.747 -9.471 1.00 1.00 O ATOM 0 H GLY A 4 0.837 5.850 -8.945 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.636 6.271 -9.805 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.330 5.917 -8.116 1.00 1.00 H new ATOM 63 N ILE A 5 3.972 3.707 -9.716 1.00 1.00 N ATOM 64 CA ILE A 5 4.025 2.272 -10.060 1.00 1.00 C ATOM 65 C ILE A 5 4.673 1.484 -8.918 1.00 1.00 C ATOM 66 O ILE A 5 5.754 1.826 -8.438 1.00 1.00 O ATOM 67 CB ILE A 5 4.826 2.074 -11.387 1.00 1.00 C ATOM 68 CG1 ILE A 5 4.279 3.059 -12.510 1.00 1.00 C ATOM 69 CG2 ILE A 5 4.689 0.592 -11.852 1.00 1.00 C ATOM 70 CD1 ILE A 5 5.156 4.328 -12.612 1.00 1.00 C ATOM 0 H ILE A 5 4.881 4.170 -9.702 1.00 1.00 H new ATOM 0 HA ILE A 5 3.011 1.900 -10.206 1.00 1.00 H new ATOM 0 HB ILE A 5 5.878 2.302 -11.214 1.00 1.00 H new ATOM 0 HG12 ILE A 5 4.263 2.546 -13.472 1.00 1.00 H new ATOM 0 HG13 ILE A 5 3.251 3.341 -12.282 1.00 1.00 H new ATOM 0 HG21 ILE A 5 5.246 0.448 -12.778 1.00 1.00 H new ATOM 0 HG22 ILE A 5 5.087 -0.069 -11.082 1.00 1.00 H new ATOM 0 HG23 ILE A 5 3.638 0.360 -12.021 1.00 1.00 H new ATOM 0 HD11 ILE A 5 4.759 4.983 -13.387 1.00 1.00 H new ATOM 0 HD12 ILE A 5 5.150 4.852 -11.656 1.00 1.00 H new ATOM 0 HD13 ILE A 5 6.178 4.045 -12.865 1.00 1.00 H new ATOM 82 N VAL A 6 4.000 0.418 -8.501 1.00 1.00 N ATOM 83 CA VAL A 6 4.505 -0.427 -7.419 1.00 1.00 C ATOM 84 C VAL A 6 5.678 -1.261 -7.929 1.00 1.00 C ATOM 85 O VAL A 6 5.611 -1.871 -8.996 1.00 1.00 O ATOM 86 CB VAL A 6 3.373 -1.349 -6.898 1.00 1.00 C ATOM 87 CG1 VAL A 6 3.874 -2.223 -5.712 1.00 1.00 C ATOM 88 CG2 VAL A 6 2.182 -0.480 -6.433 1.00 1.00 C ATOM 0 H VAL A 6 3.107 0.117 -8.892 1.00 1.00 H new ATOM 0 HA VAL A 6 4.848 0.201 -6.597 1.00 1.00 H new ATOM 0 HB VAL A 6 3.060 -2.010 -7.706 1.00 1.00 H new ATOM 0 HG11 VAL A 6 3.063 -2.862 -5.363 1.00 1.00 H new ATOM 0 HG12 VAL A 6 4.707 -2.843 -6.043 1.00 1.00 H new ATOM 0 HG13 VAL A 6 4.203 -1.577 -4.898 1.00 1.00 H new ATOM 0 HG21 VAL A 6 1.383 -1.124 -6.066 1.00 1.00 H new ATOM 0 HG22 VAL A 6 2.508 0.186 -5.634 1.00 1.00 H new ATOM 0 HG23 VAL A 6 1.814 0.112 -7.271 1.00 1.00 H new ATOM 98 N ASN A 7 6.750 -1.290 -7.145 1.00 1.00 N ATOM 99 CA ASN A 7 7.946 -2.065 -7.518 1.00 1.00 C ATOM 100 C ASN A 7 7.559 -3.499 -7.931 1.00 1.00 C ATOM 101 O ASN A 7 7.376 -4.380 -7.090 1.00 1.00 O ATOM 102 CB ASN A 7 8.927 -2.099 -6.328 1.00 1.00 C ATOM 103 CG ASN A 7 9.472 -0.698 -6.033 1.00 1.00 C ATOM 104 OD1 ASN A 7 8.843 0.359 -6.484 1.00 1.00 O flip ATOM 105 ND2 ASN A 7 10.502 -0.568 -5.382 1.00 1.00 N flip ATOM 0 H ASN A 7 6.824 -0.795 -6.256 1.00 1.00 H new ATOM 0 HA ASN A 7 8.427 -1.585 -8.370 1.00 1.00 H new ATOM 0 HB2 ASN A 7 8.422 -2.491 -5.445 1.00 1.00 H new ATOM 0 HB3 ASN A 7 9.752 -2.776 -6.550 1.00 1.00 H new ATOM 0 HD21 ASN A 7 10.991 -1.392 -5.031 1.00 1.00 H new ATOM 0 HD22 ASN A 7 10.870 0.364 -5.191 1.00 1.00 H new ATOM 112 N VAL A 8 7.431 -3.709 -9.237 1.00 1.00 N ATOM 113 CA VAL A 8 7.050 -5.021 -9.779 1.00 1.00 C ATOM 114 C VAL A 8 8.124 -6.059 -9.442 1.00 1.00 C ATOM 115 O VAL A 8 7.951 -7.251 -9.693 1.00 1.00 O ATOM 116 CB VAL A 8 6.836 -4.922 -11.327 1.00 1.00 C ATOM 117 CG1 VAL A 8 6.135 -6.202 -11.877 1.00 1.00 C ATOM 118 CG2 VAL A 8 5.972 -3.671 -11.654 1.00 1.00 C ATOM 0 H VAL A 8 7.584 -2.991 -9.945 1.00 1.00 H new ATOM 0 HA VAL A 8 6.112 -5.338 -9.324 1.00 1.00 H new ATOM 0 HB VAL A 8 7.811 -4.833 -11.805 1.00 1.00 H new ATOM 0 HG11 VAL A 8 5.998 -6.108 -12.954 1.00 1.00 H new ATOM 0 HG12 VAL A 8 6.753 -7.075 -11.665 1.00 1.00 H new ATOM 0 HG13 VAL A 8 5.164 -6.320 -11.397 1.00 1.00 H new ATOM 0 HG21 VAL A 8 5.824 -3.603 -12.732 1.00 1.00 H new ATOM 0 HG22 VAL A 8 5.005 -3.757 -11.159 1.00 1.00 H new ATOM 0 HG23 VAL A 8 6.481 -2.775 -11.301 1.00 1.00 H new ATOM 128 N SER A 9 9.229 -5.592 -8.869 1.00 1.00 N ATOM 129 CA SER A 9 10.333 -6.482 -8.499 1.00 1.00 C ATOM 130 C SER A 9 9.826 -7.645 -7.638 1.00 1.00 C ATOM 131 O SER A 9 10.111 -8.811 -7.915 1.00 1.00 O ATOM 132 CB SER A 9 11.392 -5.679 -7.722 1.00 1.00 C ATOM 133 OG SER A 9 11.863 -4.612 -8.535 1.00 1.00 O ATOM 0 H SER A 9 9.387 -4.608 -8.650 1.00 1.00 H new ATOM 0 HA SER A 9 10.774 -6.895 -9.406 1.00 1.00 H new ATOM 0 HB2 SER A 9 10.963 -5.287 -6.800 1.00 1.00 H new ATOM 0 HB3 SER A 9 12.220 -6.328 -7.438 1.00 1.00 H new ATOM 0 HG SER A 9 12.536 -4.098 -8.042 1.00 1.00 H new ATOM 139 N SER A 10 9.063 -7.313 -6.601 1.00 1.00 N ATOM 140 CA SER A 10 8.496 -8.327 -5.697 1.00 1.00 C ATOM 141 C SER A 10 7.169 -7.846 -5.119 1.00 1.00 C ATOM 142 O SER A 10 6.796 -6.680 -5.250 1.00 1.00 O ATOM 143 CB SER A 10 9.479 -8.609 -4.558 1.00 1.00 C ATOM 144 OG SER A 10 9.590 -7.453 -3.741 1.00 1.00 O ATOM 0 H SER A 10 8.819 -6.352 -6.360 1.00 1.00 H new ATOM 0 HA SER A 10 8.321 -9.241 -6.264 1.00 1.00 H new ATOM 0 HB2 SER A 10 9.134 -9.456 -3.965 1.00 1.00 H new ATOM 0 HB3 SER A 10 10.455 -8.879 -4.962 1.00 1.00 H new ATOM 0 HG SER A 10 10.217 -7.629 -3.009 1.00 1.00 H new ATOM 150 N SER A 11 6.462 -8.764 -4.466 1.00 1.00 N ATOM 151 CA SER A 11 5.155 -8.430 -3.873 1.00 1.00 C ATOM 152 C SER A 11 5.362 -7.691 -2.555 1.00 1.00 C ATOM 153 O SER A 11 6.364 -7.881 -1.865 1.00 1.00 O ATOM 154 CB SER A 11 4.365 -9.719 -3.604 1.00 1.00 C ATOM 155 OG SER A 11 5.040 -10.470 -2.606 1.00 1.00 O ATOM 0 H SER A 11 6.758 -9.731 -4.331 1.00 1.00 H new ATOM 0 HA SER A 11 4.602 -7.797 -4.567 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.353 -9.480 -3.277 1.00 1.00 H new ATOM 0 HB3 SER A 11 4.274 -10.304 -4.519 1.00 1.00 H new ATOM 0 HG SER A 11 4.543 -11.295 -2.425 1.00 1.00 H new ATOM 161 N LEU A 12 4.410 -6.825 -2.224 1.00 1.00 N ATOM 162 CA LEU A 12 4.470 -6.015 -0.975 1.00 1.00 C ATOM 163 C LEU A 12 3.270 -6.341 -0.078 1.00 1.00 C ATOM 164 O LEU A 12 2.159 -6.608 -0.537 1.00 1.00 O ATOM 165 CB LEU A 12 4.504 -4.466 -1.307 1.00 1.00 C ATOM 166 CG LEU A 12 5.927 -3.847 -1.076 1.00 1.00 C ATOM 167 CD1 LEU A 12 6.918 -4.385 -2.129 1.00 1.00 C ATOM 168 CD2 LEU A 12 5.859 -2.306 -1.158 1.00 1.00 C ATOM 0 H LEU A 12 3.580 -6.654 -2.792 1.00 1.00 H new ATOM 0 HA LEU A 12 5.388 -6.268 -0.445 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.205 -4.311 -2.344 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.777 -3.946 -0.684 1.00 1.00 H new ATOM 0 HG LEU A 12 6.274 -4.133 -0.083 1.00 1.00 H new ATOM 0 HD11 LEU A 12 7.902 -3.949 -1.959 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.983 -5.470 -2.047 1.00 1.00 H new ATOM 0 HD13 LEU A 12 6.570 -4.117 -3.127 1.00 1.00 H new ATOM 0 HD21 LEU A 12 6.853 -1.889 -0.996 1.00 1.00 H new ATOM 0 HD22 LEU A 12 5.497 -2.010 -2.143 1.00 1.00 H new ATOM 0 HD23 LEU A 12 5.179 -1.931 -0.393 1.00 1.00 H new ATOM 180 N ASN A 13 3.524 -6.301 1.225 1.00 1.00 N ATOM 181 CA ASN A 13 2.501 -6.577 2.243 1.00 1.00 C ATOM 182 C ASN A 13 1.898 -5.265 2.748 1.00 1.00 C ATOM 183 O ASN A 13 2.573 -4.239 2.836 1.00 1.00 O ATOM 184 CB ASN A 13 3.144 -7.345 3.415 1.00 1.00 C ATOM 185 CG ASN A 13 3.733 -8.664 2.906 1.00 1.00 C ATOM 186 OD1 ASN A 13 3.005 -9.506 2.382 1.00 1.00 O ATOM 187 ND2 ASN A 13 5.011 -8.889 3.030 1.00 1.00 N ATOM 0 H ASN A 13 4.441 -6.077 1.611 1.00 1.00 H new ATOM 0 HA ASN A 13 1.707 -7.181 1.804 1.00 1.00 H new ATOM 0 HB2 ASN A 13 3.926 -6.740 3.874 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.399 -7.542 4.186 1.00 1.00 H new ATOM 0 HD21 ASN A 13 5.410 -9.765 2.692 1.00 1.00 H new ATOM 0 HD22 ASN A 13 5.612 -8.189 3.465 1.00 1.00 H new ATOM 194 N VAL A 14 0.612 -5.317 3.084 1.00 1.00 N ATOM 195 CA VAL A 14 -0.093 -4.118 3.583 1.00 1.00 C ATOM 196 C VAL A 14 -0.070 -4.106 5.110 1.00 1.00 C ATOM 197 O VAL A 14 -0.806 -4.850 5.758 1.00 1.00 O ATOM 198 CB VAL A 14 -1.553 -4.107 3.057 1.00 1.00 C ATOM 199 CG1 VAL A 14 -2.242 -2.767 3.418 1.00 1.00 C ATOM 200 CG2 VAL A 14 -1.543 -4.275 1.516 1.00 1.00 C ATOM 0 H VAL A 14 0.036 -6.157 3.025 1.00 1.00 H new ATOM 0 HA VAL A 14 0.411 -3.223 3.220 1.00 1.00 H new ATOM 0 HB VAL A 14 -2.103 -4.927 3.519 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -3.266 -2.772 3.043 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -2.252 -2.643 4.501 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.693 -1.942 2.964 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.567 -4.268 1.143 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.986 -3.454 1.064 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -1.069 -5.221 1.256 1.00 1.00 H new ATOM 210 N ARG A 15 0.774 -3.249 5.678 1.00 1.00 N ATOM 211 CA ARG A 15 0.890 -3.136 7.131 1.00 1.00 C ATOM 212 C ARG A 15 -0.261 -2.293 7.677 1.00 1.00 C ATOM 213 O ARG A 15 -0.601 -1.243 7.131 1.00 1.00 O ATOM 214 CB ARG A 15 2.237 -2.472 7.484 1.00 1.00 C ATOM 215 CG ARG A 15 3.401 -3.366 7.006 1.00 1.00 C ATOM 216 CD ARG A 15 4.751 -2.706 7.333 1.00 1.00 C ATOM 217 NE ARG A 15 4.875 -1.438 6.608 1.00 1.00 N ATOM 218 CZ ARG A 15 5.936 -0.636 6.759 1.00 1.00 C ATOM 219 NH1 ARG A 15 6.909 -0.969 7.568 1.00 1.00 N ATOM 220 NH2 ARG A 15 6.000 0.485 6.092 1.00 1.00 N ATOM 0 H ARG A 15 1.387 -2.623 5.156 1.00 1.00 H new ATOM 0 HA ARG A 15 0.846 -4.129 7.578 1.00 1.00 H new ATOM 0 HB2 ARG A 15 2.303 -1.491 7.014 1.00 1.00 H new ATOM 0 HB3 ARG A 15 2.305 -2.315 8.561 1.00 1.00 H new ATOM 0 HG2 ARG A 15 3.340 -4.342 7.487 1.00 1.00 H new ATOM 0 HG3 ARG A 15 3.322 -3.534 5.932 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.830 -2.531 8.406 1.00 1.00 H new ATOM 0 HD3 ARG A 15 5.568 -3.373 7.058 1.00 1.00 H new ATOM 0 HE ARG A 15 4.130 -1.158 5.969 1.00 1.00 H new ATOM 0 HH11 ARG A 15 6.862 -1.845 8.089 1.00 1.00 H new ATOM 0 HH12 ARG A 15 7.714 -0.353 7.678 1.00 1.00 H new ATOM 0 HH21 ARG A 15 5.244 0.746 5.459 1.00 1.00 H new ATOM 0 HH22 ARG A 15 6.806 1.100 6.204 1.00 1.00 H new ATOM 234 N SER A 16 -0.853 -2.768 8.768 1.00 1.00 N ATOM 235 CA SER A 16 -1.972 -2.059 9.397 1.00 1.00 C ATOM 236 C SER A 16 -1.518 -0.693 9.909 1.00 1.00 C ATOM 237 O SER A 16 -2.313 0.241 10.016 1.00 1.00 O ATOM 238 CB SER A 16 -2.520 -2.894 10.560 1.00 1.00 C ATOM 239 OG SER A 16 -3.629 -2.217 11.137 1.00 1.00 O ATOM 0 H SER A 16 -0.583 -3.633 9.235 1.00 1.00 H new ATOM 0 HA SER A 16 -2.756 -1.909 8.655 1.00 1.00 H new ATOM 0 HB2 SER A 16 -2.824 -3.879 10.205 1.00 1.00 H new ATOM 0 HB3 SER A 16 -1.744 -3.050 11.309 1.00 1.00 H new ATOM 0 HG SER A 16 -3.985 -2.747 11.881 1.00 1.00 H new ATOM 245 N SER A 17 -0.233 -0.590 10.231 1.00 1.00 N ATOM 246 CA SER A 17 0.345 0.673 10.739 1.00 1.00 C ATOM 247 C SER A 17 1.781 0.857 10.240 1.00 1.00 C ATOM 248 O SER A 17 2.297 0.048 9.467 1.00 1.00 O ATOM 249 CB SER A 17 0.328 0.661 12.269 1.00 1.00 C ATOM 250 OG SER A 17 0.880 1.877 12.755 1.00 1.00 O ATOM 0 H SER A 17 0.435 -1.357 10.154 1.00 1.00 H new ATOM 0 HA SER A 17 -0.255 1.504 10.369 1.00 1.00 H new ATOM 0 HB2 SER A 17 -0.693 0.541 12.632 1.00 1.00 H new ATOM 0 HB3 SER A 17 0.901 -0.187 12.644 1.00 1.00 H new ATOM 0 HG SER A 17 0.869 1.873 13.735 1.00 1.00 H new ATOM 256 N ALA A 18 2.418 1.930 10.696 1.00 1.00 N ATOM 257 CA ALA A 18 3.806 2.234 10.297 1.00 1.00 C ATOM 258 C ALA A 18 4.791 1.419 11.142 1.00 1.00 C ATOM 259 O ALA A 18 5.665 1.975 11.807 1.00 1.00 O ATOM 260 CB ALA A 18 4.058 3.752 10.460 1.00 1.00 C ATOM 0 H ALA A 18 2.006 2.606 11.339 1.00 1.00 H new ATOM 0 HA ALA A 18 3.958 1.960 9.253 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.082 3.984 10.167 1.00 1.00 H new ATOM 0 HB2 ALA A 18 3.365 4.306 9.827 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.905 4.036 11.501 1.00 1.00 H new ATOM 266 N SER A 19 4.639 0.098 11.106 1.00 1.00 N ATOM 267 CA SER A 19 5.515 -0.804 11.871 1.00 1.00 C ATOM 268 C SER A 19 5.526 -2.206 11.248 1.00 1.00 C ATOM 269 O SER A 19 4.488 -2.735 10.849 1.00 1.00 O ATOM 270 CB SER A 19 5.022 -0.893 13.319 1.00 1.00 C ATOM 271 OG SER A 19 5.862 -1.780 14.046 1.00 1.00 O ATOM 0 H SER A 19 3.921 -0.377 10.559 1.00 1.00 H new ATOM 0 HA SER A 19 6.529 -0.404 11.850 1.00 1.00 H new ATOM 0 HB2 SER A 19 5.031 0.095 13.780 1.00 1.00 H new ATOM 0 HB3 SER A 19 3.991 -1.247 13.344 1.00 1.00 H new ATOM 0 HG SER A 19 5.757 -1.616 15.007 1.00 1.00 H new ATOM 277 N THR A 20 6.715 -2.797 11.176 1.00 1.00 N ATOM 278 CA THR A 20 6.868 -4.143 10.610 1.00 1.00 C ATOM 279 C THR A 20 6.189 -5.182 11.501 1.00 1.00 C ATOM 280 O THR A 20 5.667 -6.187 11.018 1.00 1.00 O ATOM 281 CB THR A 20 8.367 -4.478 10.459 1.00 1.00 C ATOM 282 OG1 THR A 20 8.500 -5.820 10.014 1.00 1.00 O ATOM 283 CG2 THR A 20 9.108 -4.315 11.801 1.00 1.00 C ATOM 0 H THR A 20 7.584 -2.372 11.499 1.00 1.00 H new ATOM 0 HA THR A 20 6.392 -4.165 9.630 1.00 1.00 H new ATOM 0 HB THR A 20 8.805 -3.791 9.735 1.00 1.00 H new ATOM 0 HG1 THR A 20 9.450 -6.039 9.914 1.00 1.00 H new ATOM 0 HG21 THR A 20 10.162 -4.557 11.666 1.00 1.00 H new ATOM 0 HG22 THR A 20 9.013 -3.285 12.146 1.00 1.00 H new ATOM 0 HG23 THR A 20 8.673 -4.987 12.541 1.00 1.00 H new ATOM 291 N SER A 21 6.204 -4.930 12.808 1.00 1.00 N ATOM 292 CA SER A 21 5.594 -5.849 13.777 1.00 1.00 C ATOM 293 C SER A 21 4.075 -5.834 13.637 1.00 1.00 C ATOM 294 O SER A 21 3.375 -6.598 14.302 1.00 1.00 O ATOM 295 CB SER A 21 5.981 -5.428 15.199 1.00 1.00 C ATOM 296 OG SER A 21 5.410 -4.158 15.483 1.00 1.00 O ATOM 0 H SER A 21 6.629 -4.101 13.223 1.00 1.00 H new ATOM 0 HA SER A 21 5.957 -6.858 13.582 1.00 1.00 H new ATOM 0 HB2 SER A 21 5.629 -6.167 15.918 1.00 1.00 H new ATOM 0 HB3 SER A 21 7.066 -5.382 15.295 1.00 1.00 H new ATOM 0 HG SER A 21 5.733 -3.501 14.832 1.00 1.00 H new ATOM 302 N SER A 22 3.573 -4.965 12.767 1.00 1.00 N ATOM 303 CA SER A 22 2.126 -4.859 12.532 1.00 1.00 C ATOM 304 C SER A 22 1.575 -6.188 12.018 1.00 1.00 C ATOM 305 O SER A 22 2.275 -7.201 12.002 1.00 1.00 O ATOM 306 CB SER A 22 1.834 -3.755 11.508 1.00 1.00 C ATOM 307 OG SER A 22 2.438 -4.103 10.270 1.00 1.00 O ATOM 0 H SER A 22 4.139 -4.323 12.212 1.00 1.00 H new ATOM 0 HA SER A 22 1.641 -4.610 13.476 1.00 1.00 H new ATOM 0 HB2 SER A 22 0.758 -3.634 11.381 1.00 1.00 H new ATOM 0 HB3 SER A 22 2.223 -2.800 11.862 1.00 1.00 H new ATOM 0 HG SER A 22 3.283 -3.617 10.171 1.00 1.00 H new ATOM 313 N LYS A 23 0.310 -6.177 11.611 1.00 1.00 N ATOM 314 CA LYS A 23 -0.358 -7.396 11.091 1.00 1.00 C ATOM 315 C LYS A 23 -0.755 -7.213 9.631 1.00 1.00 C ATOM 316 O LYS A 23 -1.075 -6.109 9.190 1.00 1.00 O ATOM 317 CB LYS A 23 -1.611 -7.714 11.945 1.00 1.00 C ATOM 318 CG LYS A 23 -1.225 -7.805 13.474 1.00 1.00 C ATOM 319 CD LYS A 23 -1.561 -6.479 14.203 1.00 1.00 C ATOM 320 CE LYS A 23 -1.131 -6.547 15.673 1.00 1.00 C ATOM 321 NZ LYS A 23 -1.499 -5.266 16.341 1.00 1.00 N ATOM 0 H LYS A 23 -0.283 -5.348 11.625 1.00 1.00 H new ATOM 0 HA LYS A 23 0.342 -8.229 11.155 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.365 -6.940 11.799 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -2.053 -8.655 11.618 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -1.763 -8.630 13.942 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -0.161 -8.021 13.574 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.057 -5.648 13.709 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -2.632 -6.285 14.140 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -1.618 -7.386 16.170 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -0.056 -6.715 15.745 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.212 -5.300 17.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.014 -4.476 15.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -2.528 -5.126 16.281 1.00 1.00 H new ATOM 335 N VAL A 24 -0.735 -8.313 8.884 1.00 1.00 N ATOM 336 CA VAL A 24 -1.098 -8.283 7.465 1.00 1.00 C ATOM 337 C VAL A 24 -2.622 -8.337 7.325 1.00 1.00 C ATOM 338 O VAL A 24 -3.264 -9.328 7.676 1.00 1.00 O ATOM 339 CB VAL A 24 -0.438 -9.479 6.720 1.00 1.00 C ATOM 340 CG1 VAL A 24 -0.632 -9.334 5.188 1.00 1.00 C ATOM 341 CG2 VAL A 24 1.077 -9.513 7.041 1.00 1.00 C ATOM 0 H VAL A 24 -0.473 -9.235 9.233 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.735 -7.358 7.018 1.00 1.00 H new ATOM 0 HB VAL A 24 -0.910 -10.404 7.052 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -0.165 -10.178 4.681 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.697 -9.315 4.956 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -0.171 -8.406 4.849 1.00 1.00 H new ATOM 0 HG21 VAL A 24 1.541 -10.350 6.520 1.00 1.00 H new ATOM 0 HG22 VAL A 24 1.539 -8.581 6.714 1.00 1.00 H new ATOM 0 HG23 VAL A 24 1.219 -9.631 8.115 1.00 1.00 H new ATOM 351 N ILE A 25 -3.191 -7.259 6.793 1.00 1.00 N ATOM 352 CA ILE A 25 -4.652 -7.172 6.595 1.00 1.00 C ATOM 353 C ILE A 25 -5.005 -7.560 5.166 1.00 1.00 C ATOM 354 O ILE A 25 -6.163 -7.843 4.859 1.00 1.00 O ATOM 355 CB ILE A 25 -5.140 -5.729 6.920 1.00 1.00 C ATOM 356 CG1 ILE A 25 -4.335 -4.687 6.079 1.00 1.00 C ATOM 357 CG2 ILE A 25 -4.949 -5.446 8.434 1.00 1.00 C ATOM 358 CD1 ILE A 25 -4.937 -3.277 6.235 1.00 1.00 C ATOM 0 H ILE A 25 -2.675 -6.433 6.490 1.00 1.00 H new ATOM 0 HA ILE A 25 -5.154 -7.865 7.269 1.00 1.00 H new ATOM 0 HB ILE A 25 -6.197 -5.643 6.666 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -3.293 -4.680 6.400 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -4.343 -4.977 5.028 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -5.291 -4.436 8.661 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -5.528 -6.164 9.014 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -3.894 -5.539 8.691 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -4.361 -2.568 5.641 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -5.971 -3.283 5.891 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -4.905 -2.982 7.284 1.00 1.00 H new ATOM 370 N GLY A 26 -4.004 -7.558 4.292 1.00 1.00 N ATOM 371 CA GLY A 26 -4.207 -7.912 2.892 1.00 1.00 C ATOM 372 C GLY A 26 -2.898 -7.815 2.116 1.00 1.00 C ATOM 373 O GLY A 26 -1.924 -7.219 2.577 1.00 1.00 O ATOM 0 H GLY A 26 -3.042 -7.315 4.529 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -4.603 -8.925 2.822 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.949 -7.248 2.448 1.00 1.00 H new ATOM 377 N SER A 27 -2.895 -8.389 0.918 1.00 1.00 N ATOM 378 CA SER A 27 -1.699 -8.372 0.039 1.00 1.00 C ATOM 379 C SER A 27 -2.013 -7.620 -1.252 1.00 1.00 C ATOM 380 O SER A 27 -3.065 -7.812 -1.865 1.00 1.00 O ATOM 381 CB SER A 27 -1.259 -9.811 -0.282 1.00 1.00 C ATOM 382 OG SER A 27 -0.951 -10.476 0.936 1.00 1.00 O ATOM 0 H SER A 27 -3.699 -8.875 0.521 1.00 1.00 H new ATOM 0 HA SER A 27 -0.886 -7.863 0.557 1.00 1.00 H new ATOM 0 HB2 SER A 27 -2.052 -10.339 -0.811 1.00 1.00 H new ATOM 0 HB3 SER A 27 -0.389 -9.803 -0.938 1.00 1.00 H new ATOM 0 HG SER A 27 -0.671 -11.395 0.745 1.00 1.00 H new ATOM 388 N LEU A 28 -1.084 -6.762 -1.660 1.00 1.00 N ATOM 389 CA LEU A 28 -1.261 -5.957 -2.886 1.00 1.00 C ATOM 390 C LEU A 28 -0.482 -6.606 -4.028 1.00 1.00 C ATOM 391 O LEU A 28 0.440 -7.396 -3.820 1.00 1.00 O ATOM 392 CB LEU A 28 -0.750 -4.487 -2.647 1.00 1.00 C ATOM 393 CG LEU A 28 -1.475 -3.454 -3.607 1.00 1.00 C ATOM 394 CD1 LEU A 28 -2.805 -2.967 -2.979 1.00 1.00 C ATOM 395 CD2 LEU A 28 -0.569 -2.229 -3.892 1.00 1.00 C ATOM 0 H LEU A 28 -0.204 -6.599 -1.171 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.319 -5.917 -3.145 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -0.925 -4.205 -1.609 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.327 -4.444 -2.812 1.00 1.00 H new ATOM 0 HG LEU A 28 -1.683 -3.968 -4.545 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -3.288 -2.259 -3.653 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.464 -3.820 -2.816 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -2.600 -2.479 -2.026 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -1.091 -1.537 -4.553 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -0.331 -1.726 -2.954 1.00 1.00 H new ATOM 0 HD23 LEU A 28 0.353 -2.561 -4.369 1.00 1.00 H new ATOM 407 N SER A 29 -0.881 -6.267 -5.250 1.00 1.00 N ATOM 408 CA SER A 29 -0.248 -6.818 -6.460 1.00 1.00 C ATOM 409 C SER A 29 0.715 -5.800 -7.057 1.00 1.00 C ATOM 410 O SER A 29 0.472 -4.594 -7.010 1.00 1.00 O ATOM 411 CB SER A 29 -1.341 -7.164 -7.484 1.00 1.00 C ATOM 412 OG SER A 29 -2.230 -8.116 -6.910 1.00 1.00 O ATOM 0 H SER A 29 -1.641 -5.613 -5.437 1.00 1.00 H new ATOM 0 HA SER A 29 0.311 -7.717 -6.200 1.00 1.00 H new ATOM 0 HB2 SER A 29 -1.886 -6.265 -7.771 1.00 1.00 H new ATOM 0 HB3 SER A 29 -0.892 -7.568 -8.392 1.00 1.00 H new ATOM 0 HG SER A 29 -2.931 -8.340 -7.557 1.00 1.00 H new ATOM 418 N GLY A 30 1.804 -6.296 -7.637 1.00 1.00 N ATOM 419 CA GLY A 30 2.795 -5.425 -8.259 1.00 1.00 C ATOM 420 C GLY A 30 2.264 -4.875 -9.579 1.00 1.00 C ATOM 421 O GLY A 30 1.447 -5.508 -10.247 1.00 1.00 O ATOM 0 H GLY A 30 2.022 -7.291 -7.689 1.00 1.00 H new ATOM 0 HA2 GLY A 30 3.039 -4.603 -7.587 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.718 -5.979 -8.433 1.00 1.00 H new ATOM 425 N ASN A 31 2.744 -3.692 -9.950 1.00 1.00 N ATOM 426 CA ASN A 31 2.321 -3.036 -11.210 1.00 1.00 C ATOM 427 C ASN A 31 0.906 -2.458 -11.067 1.00 1.00 C ATOM 428 O ASN A 31 0.270 -2.109 -12.061 1.00 1.00 O ATOM 429 CB ASN A 31 2.373 -4.037 -12.425 1.00 1.00 C ATOM 430 CG ASN A 31 2.511 -3.294 -13.754 1.00 1.00 C ATOM 431 OD1 ASN A 31 3.581 -2.588 -13.980 1.00 1.00 O flip ATOM 432 ND2 ASN A 31 1.625 -3.370 -14.606 1.00 1.00 N flip ATOM 0 H ASN A 31 3.424 -3.160 -9.407 1.00 1.00 H new ATOM 0 HA ASN A 31 3.020 -2.223 -11.409 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.213 -4.721 -12.300 1.00 1.00 H new ATOM 0 HB3 ASN A 31 1.467 -4.644 -12.438 1.00 1.00 H new ATOM 0 HD21 ASN A 31 0.789 -3.925 -14.424 1.00 1.00 H new ATOM 0 HD22 ASN A 31 1.728 -2.878 -15.494 1.00 1.00 H new ATOM 439 N THR A 32 0.422 -2.373 -9.831 1.00 1.00 N ATOM 440 CA THR A 32 -0.929 -1.835 -9.571 1.00 1.00 C ATOM 441 C THR A 32 -0.892 -0.301 -9.524 1.00 1.00 C ATOM 442 O THR A 32 0.005 0.296 -8.928 1.00 1.00 O ATOM 443 CB THR A 32 -1.480 -2.400 -8.241 1.00 1.00 C ATOM 444 OG1 THR A 32 -1.495 -3.815 -8.327 1.00 1.00 O ATOM 445 CG2 THR A 32 -2.922 -1.908 -7.973 1.00 1.00 C ATOM 0 H THR A 32 0.931 -2.664 -8.996 1.00 1.00 H new ATOM 0 HA THR A 32 -1.590 -2.141 -10.382 1.00 1.00 H new ATOM 0 HB THR A 32 -0.841 -2.057 -7.427 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.115 -4.197 -7.508 1.00 1.00 H new ATOM 0 HG21 THR A 32 -3.279 -2.324 -7.031 1.00 1.00 H new ATOM 0 HG22 THR A 32 -2.930 -0.820 -7.916 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.574 -2.234 -8.783 1.00 1.00 H new ATOM 453 N LYS A 33 -1.884 0.321 -10.152 1.00 1.00 N ATOM 454 CA LYS A 33 -1.978 1.791 -10.187 1.00 1.00 C ATOM 455 C LYS A 33 -2.846 2.286 -9.033 1.00 1.00 C ATOM 456 O LYS A 33 -3.829 1.648 -8.655 1.00 1.00 O ATOM 457 CB LYS A 33 -2.590 2.239 -11.531 1.00 1.00 C ATOM 458 CG LYS A 33 -1.670 1.807 -12.695 1.00 1.00 C ATOM 459 CD LYS A 33 -2.255 2.285 -14.042 1.00 1.00 C ATOM 460 CE LYS A 33 -1.352 1.822 -15.199 1.00 1.00 C ATOM 461 NZ LYS A 33 0.025 2.351 -14.988 1.00 1.00 N ATOM 0 H LYS A 33 -2.636 -0.161 -10.645 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.979 2.216 -10.086 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -3.580 1.799 -11.655 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.719 3.321 -11.540 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.673 2.224 -12.554 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -1.563 0.722 -12.701 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -3.261 1.887 -14.173 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -2.339 3.372 -14.047 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -1.333 0.733 -15.248 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -1.749 2.177 -16.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 0.434 2.630 -15.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -0.014 3.179 -14.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 0.617 1.614 -14.554 1.00 1.00 H new ATOM 475 N VAL A 34 -2.470 3.433 -8.479 1.00 1.00 N ATOM 476 CA VAL A 34 -3.209 4.026 -7.368 1.00 1.00 C ATOM 477 C VAL A 34 -2.985 5.540 -7.342 1.00 1.00 C ATOM 478 O VAL A 34 -1.872 6.022 -7.548 1.00 1.00 O ATOM 479 CB VAL A 34 -2.756 3.365 -6.037 1.00 1.00 C ATOM 480 CG1 VAL A 34 -1.227 3.502 -5.852 1.00 1.00 C ATOM 481 CG2 VAL A 34 -3.496 4.000 -4.832 1.00 1.00 C ATOM 0 H VAL A 34 -1.658 3.972 -8.780 1.00 1.00 H new ATOM 0 HA VAL A 34 -4.277 3.848 -7.496 1.00 1.00 H new ATOM 0 HB VAL A 34 -3.008 2.306 -6.083 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -0.930 3.033 -4.914 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -0.715 3.013 -6.680 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -0.956 4.558 -5.831 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -3.165 3.523 -3.909 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -3.274 5.066 -4.790 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -4.570 3.857 -4.949 1.00 1.00 H new ATOM 491 N THR A 35 -4.053 6.280 -7.058 1.00 1.00 N ATOM 492 CA THR A 35 -3.978 7.739 -6.983 1.00 1.00 C ATOM 493 C THR A 35 -3.482 8.156 -5.604 1.00 1.00 C ATOM 494 O THR A 35 -4.269 8.489 -4.718 1.00 1.00 O ATOM 495 CB THR A 35 -5.373 8.341 -7.240 1.00 1.00 C ATOM 496 OG1 THR A 35 -6.247 7.939 -6.200 1.00 1.00 O ATOM 497 CG2 THR A 35 -5.926 7.844 -8.589 1.00 1.00 C ATOM 0 H THR A 35 -4.980 5.896 -6.876 1.00 1.00 H new ATOM 0 HA THR A 35 -3.284 8.105 -7.739 1.00 1.00 H new ATOM 0 HB THR A 35 -5.296 9.428 -7.267 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.782 8.002 -5.339 1.00 1.00 H new ATOM 0 HG21 THR A 35 -6.912 8.276 -8.759 1.00 1.00 H new ATOM 0 HG22 THR A 35 -5.254 8.147 -9.392 1.00 1.00 H new ATOM 0 HG23 THR A 35 -6.004 6.757 -8.572 1.00 1.00 H new ATOM 505 N ILE A 36 -2.164 8.144 -5.435 1.00 1.00 N ATOM 506 CA ILE A 36 -1.546 8.530 -4.148 1.00 1.00 C ATOM 507 C ILE A 36 -2.142 9.859 -3.654 1.00 1.00 C ATOM 508 O ILE A 36 -2.824 10.561 -4.400 1.00 1.00 O ATOM 509 CB ILE A 36 0.009 8.652 -4.302 1.00 1.00 C ATOM 510 CG1 ILE A 36 0.602 7.290 -4.805 1.00 1.00 C ATOM 511 CG2 ILE A 36 0.673 9.050 -2.926 1.00 1.00 C ATOM 512 CD1 ILE A 36 2.071 7.469 -5.238 1.00 1.00 C ATOM 0 H ILE A 36 -1.498 7.875 -6.160 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.758 7.755 -3.411 1.00 1.00 H new ATOM 0 HB ILE A 36 0.226 9.432 -5.031 1.00 1.00 H new ATOM 0 HG12 ILE A 36 0.538 6.544 -4.013 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.013 6.917 -5.642 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.753 9.130 -3.053 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.275 10.009 -2.594 1.00 1.00 H new ATOM 0 HG23 ILE A 36 0.451 8.287 -2.180 1.00 1.00 H new ATOM 0 HD11 ILE A 36 2.467 6.514 -5.584 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.126 8.199 -6.046 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.660 7.820 -4.391 1.00 1.00 H new ATOM 524 N VAL A 37 -1.879 10.188 -2.393 1.00 1.00 N ATOM 525 CA VAL A 37 -2.397 11.434 -1.788 1.00 1.00 C ATOM 526 C VAL A 37 -1.251 12.223 -1.145 1.00 1.00 C ATOM 527 O VAL A 37 -0.607 13.047 -1.795 1.00 1.00 O ATOM 528 CB VAL A 37 -3.503 11.080 -0.745 1.00 1.00 C ATOM 529 CG1 VAL A 37 -4.146 12.372 -0.181 1.00 1.00 C ATOM 530 CG2 VAL A 37 -4.592 10.207 -1.415 1.00 1.00 C ATOM 0 H VAL A 37 -1.313 9.619 -1.763 1.00 1.00 H new ATOM 0 HA VAL A 37 -2.840 12.064 -2.559 1.00 1.00 H new ATOM 0 HB VAL A 37 -3.047 10.527 0.076 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -4.915 12.109 0.545 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -3.381 12.977 0.305 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -4.595 12.940 -0.995 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.362 9.962 -0.684 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -5.040 10.756 -2.244 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.142 9.288 -1.790 1.00 1.00 H new ATOM 540 N GLY A 38 -1.019 11.977 0.142 1.00 1.00 N ATOM 541 CA GLY A 38 0.042 12.667 0.898 1.00 1.00 C ATOM 542 C GLY A 38 1.079 11.675 1.405 1.00 1.00 C ATOM 543 O GLY A 38 1.266 10.589 0.855 1.00 1.00 O ATOM 0 H GLY A 38 -1.551 11.303 0.692 1.00 1.00 H new ATOM 0 HA2 GLY A 38 0.524 13.410 0.262 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -0.396 13.204 1.740 1.00 1.00 H new ATOM 547 N GLU A 39 1.761 12.071 2.476 1.00 1.00 N ATOM 548 CA GLU A 39 2.803 11.215 3.082 1.00 1.00 C ATOM 549 C GLU A 39 2.766 11.334 4.611 1.00 1.00 C ATOM 550 O GLU A 39 2.490 12.400 5.160 1.00 1.00 O ATOM 551 CB GLU A 39 4.191 11.626 2.537 1.00 1.00 C ATOM 552 CG GLU A 39 5.270 10.593 2.947 1.00 1.00 C ATOM 553 CD GLU A 39 6.639 11.029 2.431 1.00 1.00 C ATOM 554 OE1 GLU A 39 7.295 11.786 3.126 1.00 1.00 O ATOM 555 OE2 GLU A 39 7.009 10.597 1.352 1.00 1.00 O ATOM 0 H GLU A 39 1.621 12.966 2.945 1.00 1.00 H new ATOM 0 HA GLU A 39 2.613 10.175 2.818 1.00 1.00 H new ATOM 0 HB2 GLU A 39 4.151 11.706 1.451 1.00 1.00 H new ATOM 0 HB3 GLU A 39 4.460 12.611 2.919 1.00 1.00 H new ATOM 0 HG2 GLU A 39 5.296 10.495 4.032 1.00 1.00 H new ATOM 0 HG3 GLU A 39 5.017 9.612 2.544 1.00 1.00 H new ATOM 562 N GLU A 40 3.046 10.223 5.283 1.00 1.00 N ATOM 563 CA GLU A 40 3.049 10.196 6.756 1.00 1.00 C ATOM 564 C GLU A 40 4.100 9.203 7.259 1.00 1.00 C ATOM 565 O GLU A 40 4.058 8.016 6.938 1.00 1.00 O ATOM 566 CB GLU A 40 1.639 9.806 7.273 1.00 1.00 C ATOM 567 CG GLU A 40 1.592 9.710 8.829 1.00 1.00 C ATOM 568 CD GLU A 40 1.958 11.051 9.466 1.00 1.00 C ATOM 569 OE1 GLU A 40 1.645 12.072 8.873 1.00 1.00 O ATOM 570 OE2 GLU A 40 2.569 11.037 10.520 1.00 1.00 O ATOM 0 H GLU A 40 3.273 9.331 4.843 1.00 1.00 H new ATOM 0 HA GLU A 40 3.301 11.186 7.136 1.00 1.00 H new ATOM 0 HB2 GLU A 40 0.912 10.543 6.933 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.347 8.848 6.842 1.00 1.00 H new ATOM 0 HG2 GLU A 40 0.594 9.410 9.150 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.282 8.939 9.171 1.00 1.00 H new ATOM 577 N GLY A 41 5.031 9.701 8.067 1.00 1.00 N ATOM 578 CA GLY A 41 6.088 8.862 8.626 1.00 1.00 C ATOM 579 C GLY A 41 6.854 8.123 7.527 1.00 1.00 C ATOM 580 O GLY A 41 7.297 8.732 6.553 1.00 1.00 O ATOM 0 H GLY A 41 5.076 10.680 8.350 1.00 1.00 H new ATOM 0 HA2 GLY A 41 6.779 9.479 9.201 1.00 1.00 H new ATOM 0 HA3 GLY A 41 5.654 8.140 9.318 1.00 1.00 H new ATOM 584 N ALA A 42 6.998 6.813 7.689 1.00 1.00 N ATOM 585 CA ALA A 42 7.702 5.974 6.703 1.00 1.00 C ATOM 586 C ALA A 42 6.694 5.254 5.814 1.00 1.00 C ATOM 587 O ALA A 42 6.943 4.124 5.390 1.00 1.00 O ATOM 588 CB ALA A 42 8.590 4.944 7.429 1.00 1.00 C ATOM 0 H ALA A 42 6.638 6.299 8.494 1.00 1.00 H new ATOM 0 HA ALA A 42 8.330 6.612 6.081 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.107 4.327 6.694 1.00 1.00 H new ATOM 0 HB2 ALA A 42 9.322 5.465 8.045 1.00 1.00 H new ATOM 0 HB3 ALA A 42 7.969 4.310 8.062 1.00 1.00 H new ATOM 594 N PHE A 43 5.569 5.902 5.529 1.00 1.00 N ATOM 595 CA PHE A 43 4.530 5.319 4.672 1.00 1.00 C ATOM 596 C PHE A 43 3.637 6.424 4.103 1.00 1.00 C ATOM 597 O PHE A 43 3.676 7.581 4.525 1.00 1.00 O ATOM 598 CB PHE A 43 3.668 4.309 5.469 1.00 1.00 C ATOM 599 CG PHE A 43 2.705 5.066 6.404 1.00 1.00 C ATOM 600 CD1 PHE A 43 3.135 5.511 7.657 1.00 1.00 C ATOM 601 CD2 PHE A 43 1.393 5.343 5.988 1.00 1.00 C ATOM 602 CE1 PHE A 43 2.255 6.212 8.494 1.00 1.00 C ATOM 603 CE2 PHE A 43 0.517 6.040 6.823 1.00 1.00 C ATOM 604 CZ PHE A 43 0.946 6.472 8.079 1.00 1.00 C ATOM 0 H PHE A 43 5.349 6.835 5.878 1.00 1.00 H new ATOM 0 HA PHE A 43 5.018 4.792 3.852 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.102 3.679 4.783 1.00 1.00 H new ATOM 0 HB3 PHE A 43 4.311 3.649 6.051 1.00 1.00 H new ATOM 0 HD1 PHE A 43 4.146 5.315 7.981 1.00 1.00 H new ATOM 0 HD2 PHE A 43 1.059 5.015 5.015 1.00 1.00 H new ATOM 0 HE1 PHE A 43 2.590 6.552 9.463 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -0.492 6.245 6.497 1.00 1.00 H new ATOM 0 HZ PHE A 43 0.268 7.006 8.729 1.00 1.00 H new ATOM 614 N TYR A 44 2.812 6.032 3.138 1.00 1.00 N ATOM 615 CA TYR A 44 1.866 6.951 2.464 1.00 1.00 C ATOM 616 C TYR A 44 0.460 6.356 2.454 1.00 1.00 C ATOM 617 O TYR A 44 0.261 5.163 2.685 1.00 1.00 O ATOM 618 CB TYR A 44 2.347 7.235 1.021 1.00 1.00 C ATOM 619 CG TYR A 44 2.511 5.919 0.239 1.00 1.00 C ATOM 620 CD1 TYR A 44 3.508 5.000 0.617 1.00 1.00 C ATOM 621 CD2 TYR A 44 1.683 5.613 -0.862 1.00 1.00 C ATOM 622 CE1 TYR A 44 3.670 3.805 -0.077 1.00 1.00 C ATOM 623 CE2 TYR A 44 1.862 4.411 -1.558 1.00 1.00 C ATOM 624 CZ TYR A 44 2.853 3.512 -1.163 1.00 1.00 C ATOM 625 OH TYR A 44 3.006 2.317 -1.825 1.00 1.00 O ATOM 0 H TYR A 44 2.771 5.073 2.793 1.00 1.00 H new ATOM 0 HA TYR A 44 1.833 7.891 3.015 1.00 1.00 H new ATOM 0 HB2 TYR A 44 1.630 7.880 0.513 1.00 1.00 H new ATOM 0 HB3 TYR A 44 3.296 7.771 1.046 1.00 1.00 H new ATOM 0 HD1 TYR A 44 4.153 5.225 1.453 1.00 1.00 H new ATOM 0 HD2 TYR A 44 0.912 6.305 -1.168 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.432 3.103 0.229 1.00 1.00 H new ATOM 0 HE2 TYR A 44 1.231 4.179 -2.403 1.00 1.00 H new ATOM 0 HH TYR A 44 3.713 1.793 -1.394 1.00 1.00 H new ATOM 635 N LYS A 45 -0.518 7.213 2.184 1.00 1.00 N ATOM 636 CA LYS A 45 -1.927 6.783 2.161 1.00 1.00 C ATOM 637 C LYS A 45 -2.282 6.253 0.776 1.00 1.00 C ATOM 638 O LYS A 45 -1.828 6.771 -0.243 1.00 1.00 O ATOM 639 CB LYS A 45 -2.861 7.966 2.526 1.00 1.00 C ATOM 640 CG LYS A 45 -4.331 7.480 2.645 1.00 1.00 C ATOM 641 CD LYS A 45 -5.257 8.650 3.035 1.00 1.00 C ATOM 642 CE LYS A 45 -6.705 8.146 3.163 1.00 1.00 C ATOM 643 NZ LYS A 45 -6.760 7.100 4.223 1.00 1.00 N ATOM 0 H LYS A 45 -0.373 8.202 1.979 1.00 1.00 H new ATOM 0 HA LYS A 45 -2.063 5.991 2.897 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -2.542 8.412 3.468 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -2.789 8.743 1.765 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -4.656 7.051 1.697 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -4.400 6.690 3.392 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -4.929 9.087 3.978 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -5.201 9.437 2.283 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -7.371 8.972 3.413 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -7.047 7.738 2.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -7.600 7.251 4.817 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -6.813 6.160 3.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -5.905 7.158 4.812 1.00 1.00 H new ATOM 657 N ILE A 46 -3.098 5.204 0.752 1.00 1.00 N ATOM 658 CA ILE A 46 -3.540 4.579 -0.501 1.00 1.00 C ATOM 659 C ILE A 46 -5.008 4.160 -0.394 1.00 1.00 C ATOM 660 O ILE A 46 -5.545 3.929 0.690 1.00 1.00 O ATOM 661 CB ILE A 46 -2.647 3.345 -0.825 1.00 1.00 C ATOM 662 CG1 ILE A 46 -2.541 2.415 0.423 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.229 3.808 -1.247 1.00 1.00 C ATOM 664 CD1 ILE A 46 -1.897 1.069 0.043 1.00 1.00 C ATOM 0 H ILE A 46 -3.472 4.762 1.591 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.444 5.303 -1.310 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.104 2.793 -1.646 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -1.948 2.902 1.197 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -3.533 2.244 0.841 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -0.613 2.937 -1.471 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.301 4.439 -2.133 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -0.774 4.374 -0.434 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -1.832 0.434 0.927 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.506 0.575 -0.714 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -0.897 1.243 -0.353 1.00 1.00 H new ATOM 676 N GLU A 47 -5.643 4.047 -1.557 1.00 1.00 N ATOM 677 CA GLU A 47 -7.066 3.652 -1.655 1.00 1.00 C ATOM 678 C GLU A 47 -7.209 2.435 -2.574 1.00 1.00 C ATOM 679 O GLU A 47 -7.330 2.569 -3.793 1.00 1.00 O ATOM 680 CB GLU A 47 -7.909 4.851 -2.193 1.00 1.00 C ATOM 681 CG GLU A 47 -7.166 5.579 -3.342 1.00 1.00 C ATOM 682 CD GLU A 47 -8.052 6.682 -3.922 1.00 1.00 C ATOM 683 OE1 GLU A 47 -8.609 7.433 -3.140 1.00 1.00 O ATOM 684 OE2 GLU A 47 -8.163 6.754 -5.134 1.00 1.00 O ATOM 0 H GLU A 47 -5.200 4.223 -2.459 1.00 1.00 H new ATOM 0 HA GLU A 47 -7.436 3.381 -0.666 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -8.874 4.491 -2.549 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -8.110 5.552 -1.383 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -6.235 6.007 -2.970 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -6.900 4.867 -4.123 1.00 1.00 H new ATOM 691 N TYR A 48 -7.211 1.250 -1.974 1.00 1.00 N ATOM 692 CA TYR A 48 -7.352 -0.008 -2.734 1.00 1.00 C ATOM 693 C TYR A 48 -8.468 -0.862 -2.132 1.00 1.00 C ATOM 694 O TYR A 48 -8.695 -0.852 -0.923 1.00 1.00 O ATOM 695 CB TYR A 48 -5.997 -0.777 -2.719 1.00 1.00 C ATOM 696 CG TYR A 48 -5.984 -1.825 -3.851 1.00 1.00 C ATOM 697 CD1 TYR A 48 -5.888 -1.388 -5.187 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.091 -3.204 -3.584 1.00 1.00 C ATOM 699 CE1 TYR A 48 -5.905 -2.315 -6.236 1.00 1.00 C ATOM 700 CE2 TYR A 48 -6.100 -4.128 -4.641 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.011 -3.682 -5.964 1.00 1.00 C ATOM 702 OH TYR A 48 -6.034 -4.592 -7.005 1.00 1.00 O ATOM 0 H TYR A 48 -7.117 1.123 -0.966 1.00 1.00 H new ATOM 0 HA TYR A 48 -7.617 0.217 -3.767 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.170 -0.079 -2.847 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -5.856 -1.266 -1.755 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -5.801 -0.333 -5.403 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -6.166 -3.551 -2.564 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -5.836 -1.973 -7.258 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -6.176 -5.185 -4.432 1.00 1.00 H new ATOM 0 HH TYR A 48 -6.110 -5.500 -6.644 1.00 1.00 H new ATOM 712 N LYS A 49 -9.152 -1.613 -2.990 1.00 1.00 N ATOM 713 CA LYS A 49 -10.254 -2.483 -2.545 1.00 1.00 C ATOM 714 C LYS A 49 -11.297 -1.669 -1.744 1.00 1.00 C ATOM 715 O LYS A 49 -12.105 -2.241 -1.013 1.00 1.00 O ATOM 716 CB LYS A 49 -9.685 -3.665 -1.681 1.00 1.00 C ATOM 717 CG LYS A 49 -9.168 -4.825 -2.581 1.00 1.00 C ATOM 718 CD LYS A 49 -8.389 -5.876 -1.743 1.00 1.00 C ATOM 719 CE LYS A 49 -9.282 -6.508 -0.647 1.00 1.00 C ATOM 720 NZ LYS A 49 -8.628 -7.751 -0.148 1.00 1.00 N ATOM 0 H LYS A 49 -8.970 -1.642 -3.993 1.00 1.00 H new ATOM 0 HA LYS A 49 -10.752 -2.900 -3.420 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -8.873 -3.300 -1.052 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.462 -4.038 -1.014 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -10.009 -5.305 -3.081 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.520 -4.424 -3.361 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -8.011 -6.659 -2.401 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.523 -5.403 -1.280 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.428 -5.804 0.172 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -10.268 -6.737 -1.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.221 -8.183 0.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.510 -8.421 -0.935 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -7.696 -7.517 0.250 1.00 1.00 H new ATOM 734 N GLY A 50 -11.257 -0.348 -1.885 1.00 1.00 N ATOM 735 CA GLY A 50 -12.188 0.532 -1.168 1.00 1.00 C ATOM 736 C GLY A 50 -11.838 0.589 0.315 1.00 1.00 C ATOM 737 O GLY A 50 -12.515 1.256 1.097 1.00 1.00 O ATOM 0 H GLY A 50 -10.594 0.141 -2.486 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.151 1.534 -1.595 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.208 0.170 -1.293 1.00 1.00 H new ATOM 741 N SER A 51 -10.770 -0.107 0.694 1.00 1.00 N ATOM 742 CA SER A 51 -10.285 -0.163 2.090 1.00 1.00 C ATOM 743 C SER A 51 -9.035 0.696 2.248 1.00 1.00 C ATOM 744 O SER A 51 -8.469 1.192 1.273 1.00 1.00 O ATOM 745 CB SER A 51 -9.956 -1.611 2.487 1.00 1.00 C ATOM 746 OG SER A 51 -9.494 -1.631 3.835 1.00 1.00 O ATOM 0 H SER A 51 -10.206 -0.655 0.045 1.00 1.00 H new ATOM 0 HA SER A 51 -11.073 0.218 2.740 1.00 1.00 H new ATOM 0 HB2 SER A 51 -10.840 -2.240 2.383 1.00 1.00 H new ATOM 0 HB3 SER A 51 -9.195 -2.020 1.822 1.00 1.00 H new ATOM 0 HG SER A 51 -9.284 -2.552 4.095 1.00 1.00 H new ATOM 752 N HIS A 52 -8.613 0.872 3.495 1.00 1.00 N ATOM 753 CA HIS A 52 -7.411 1.678 3.813 1.00 1.00 C ATOM 754 C HIS A 52 -6.223 0.762 4.152 1.00 1.00 C ATOM 755 O HIS A 52 -6.367 -0.235 4.860 1.00 1.00 O ATOM 756 CB HIS A 52 -7.719 2.616 4.999 1.00 1.00 C ATOM 757 CG HIS A 52 -8.149 1.805 6.189 1.00 1.00 C ATOM 758 ND1 HIS A 52 -9.420 1.269 6.291 1.00 1.00 N ATOM 759 CD2 HIS A 52 -7.490 1.438 7.334 1.00 1.00 C ATOM 760 CE1 HIS A 52 -9.484 0.602 7.458 1.00 1.00 C ATOM 761 NE2 HIS A 52 -8.334 0.677 8.134 1.00 1.00 N ATOM 0 H HIS A 52 -9.076 0.473 4.311 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.143 2.276 2.942 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.836 3.205 5.248 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -8.504 3.320 4.724 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.471 1.700 7.577 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -10.358 0.071 7.806 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -8.121 0.264 9.042 1.00 1.00 H new ATOM 770 N GLY A 53 -5.049 1.127 3.646 1.00 1.00 N ATOM 771 CA GLY A 53 -3.826 0.344 3.886 1.00 1.00 C ATOM 772 C GLY A 53 -2.602 1.238 3.864 1.00 1.00 C ATOM 773 O GLY A 53 -2.663 2.383 3.419 1.00 1.00 O ATOM 0 H GLY A 53 -4.911 1.956 3.068 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.896 -0.161 4.849 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.730 -0.431 3.126 1.00 1.00 H new ATOM 777 N TYR A 54 -1.478 0.703 4.334 1.00 1.00 N ATOM 778 CA TYR A 54 -0.204 1.454 4.363 1.00 1.00 C ATOM 779 C TYR A 54 0.940 0.571 3.868 1.00 1.00 C ATOM 780 O TYR A 54 0.907 -0.653 3.989 1.00 1.00 O ATOM 781 CB TYR A 54 0.092 1.952 5.796 1.00 1.00 C ATOM 782 CG TYR A 54 -1.161 2.643 6.355 1.00 1.00 C ATOM 783 CD1 TYR A 54 -1.656 3.816 5.749 1.00 1.00 C ATOM 784 CD2 TYR A 54 -1.834 2.116 7.474 1.00 1.00 C ATOM 785 CE1 TYR A 54 -2.799 4.445 6.261 1.00 1.00 C ATOM 786 CE2 TYR A 54 -2.975 2.749 7.978 1.00 1.00 C ATOM 787 CZ TYR A 54 -3.455 3.911 7.372 1.00 1.00 C ATOM 788 OH TYR A 54 -4.579 4.533 7.877 1.00 1.00 O ATOM 0 H TYR A 54 -1.413 -0.246 4.702 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.293 2.317 3.703 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.377 1.115 6.434 1.00 1.00 H new ATOM 0 HB3 TYR A 54 0.932 2.646 5.787 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -1.153 4.231 4.888 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -1.467 1.217 7.946 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.173 5.345 5.795 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.485 2.338 8.837 1.00 1.00 H new ATOM 0 HH TYR A 54 -4.912 4.030 8.650 1.00 1.00 H new ATOM 798 N VAL A 55 1.958 1.216 3.307 1.00 1.00 N ATOM 799 CA VAL A 55 3.128 0.495 2.763 1.00 1.00 C ATOM 800 C VAL A 55 4.371 1.374 2.869 1.00 1.00 C ATOM 801 O VAL A 55 4.301 2.602 2.832 1.00 1.00 O ATOM 802 CB VAL A 55 2.867 0.080 1.253 1.00 1.00 C ATOM 803 CG1 VAL A 55 2.513 -1.425 1.149 1.00 1.00 C ATOM 804 CG2 VAL A 55 1.693 0.918 0.669 1.00 1.00 C ATOM 0 H VAL A 55 2.007 2.230 3.212 1.00 1.00 H new ATOM 0 HA VAL A 55 3.288 -0.413 3.344 1.00 1.00 H new ATOM 0 HB VAL A 55 3.778 0.271 0.686 1.00 1.00 H new ATOM 0 HG11 VAL A 55 2.338 -1.686 0.105 1.00 1.00 H new ATOM 0 HG12 VAL A 55 3.338 -2.021 1.539 1.00 1.00 H new ATOM 0 HG13 VAL A 55 1.613 -1.628 1.729 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.519 0.628 -0.367 1.00 1.00 H new ATOM 0 HG22 VAL A 55 0.791 0.736 1.253 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.946 1.977 0.712 1.00 1.00 H new ATOM 814 N ALA A 56 5.519 0.718 2.996 1.00 1.00 N ATOM 815 CA ALA A 56 6.788 1.425 3.095 1.00 1.00 C ATOM 816 C ALA A 56 7.051 2.228 1.808 1.00 1.00 C ATOM 817 O ALA A 56 7.037 1.695 0.698 1.00 1.00 O ATOM 818 CB ALA A 56 7.918 0.412 3.337 1.00 1.00 C ATOM 0 H ALA A 56 5.596 -0.298 3.033 1.00 1.00 H new ATOM 0 HA ALA A 56 6.749 2.123 3.931 1.00 1.00 H new ATOM 0 HB1 ALA A 56 8.869 0.939 3.411 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.729 -0.129 4.264 1.00 1.00 H new ATOM 0 HB3 ALA A 56 7.958 -0.294 2.507 1.00 1.00 H new ATOM 824 N LYS A 57 7.295 3.523 1.987 1.00 1.00 N ATOM 825 CA LYS A 57 7.561 4.419 0.849 1.00 1.00 C ATOM 826 C LYS A 57 9.001 4.247 0.368 1.00 1.00 C ATOM 827 O LYS A 57 9.295 4.410 -0.817 1.00 1.00 O ATOM 828 CB LYS A 57 7.311 5.896 1.261 1.00 1.00 C ATOM 829 CG LYS A 57 8.101 6.242 2.547 1.00 1.00 C ATOM 830 CD LYS A 57 7.880 7.743 2.983 1.00 1.00 C ATOM 831 CE LYS A 57 9.223 8.390 3.409 1.00 1.00 C ATOM 832 NZ LYS A 57 9.916 7.487 4.369 1.00 1.00 N ATOM 0 H LYS A 57 7.316 3.980 2.899 1.00 1.00 H new ATOM 0 HA LYS A 57 6.884 4.160 0.035 1.00 1.00 H new ATOM 0 HB2 LYS A 57 7.613 6.561 0.452 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.246 6.058 1.427 1.00 1.00 H new ATOM 0 HG2 LYS A 57 7.790 5.579 3.354 1.00 1.00 H new ATOM 0 HG3 LYS A 57 9.163 6.064 2.380 1.00 1.00 H new ATOM 0 HD2 LYS A 57 7.444 8.307 2.158 1.00 1.00 H new ATOM 0 HD3 LYS A 57 7.171 7.787 3.809 1.00 1.00 H new ATOM 0 HE2 LYS A 57 9.851 8.563 2.535 1.00 1.00 H new ATOM 0 HE3 LYS A 57 9.043 9.361 3.869 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 9.966 7.944 5.302 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.388 6.594 4.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 10.879 7.291 4.028 1.00 1.00 H new ATOM 846 N GLU A 58 9.892 3.919 1.298 1.00 1.00 N ATOM 847 CA GLU A 58 11.312 3.742 0.972 1.00 1.00 C ATOM 848 C GLU A 58 11.478 2.709 -0.139 1.00 1.00 C ATOM 849 O GLU A 58 12.355 2.829 -0.994 1.00 1.00 O ATOM 850 CB GLU A 58 12.085 3.303 2.238 1.00 1.00 C ATOM 851 CG GLU A 58 13.609 3.274 1.969 1.00 1.00 C ATOM 852 CD GLU A 58 14.387 2.856 3.222 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.775 2.343 4.149 1.00 1.00 O ATOM 854 OE2 GLU A 58 15.588 3.057 3.232 1.00 1.00 O ATOM 0 H GLU A 58 9.662 3.770 2.281 1.00 1.00 H new ATOM 0 HA GLU A 58 11.717 4.690 0.619 1.00 1.00 H new ATOM 0 HB2 GLU A 58 11.869 3.988 3.058 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.748 2.315 2.551 1.00 1.00 H new ATOM 0 HG2 GLU A 58 13.824 2.580 1.156 1.00 1.00 H new ATOM 0 HG3 GLU A 58 13.942 4.259 1.643 1.00 1.00 H new ATOM 861 N TYR A 59 10.621 1.693 -0.119 1.00 1.00 N ATOM 862 CA TYR A 59 10.664 0.637 -1.136 1.00 1.00 C ATOM 863 C TYR A 59 10.434 1.242 -2.525 1.00 1.00 C ATOM 864 O TYR A 59 11.093 0.859 -3.492 1.00 1.00 O ATOM 865 CB TYR A 59 9.580 -0.442 -0.810 1.00 1.00 C ATOM 866 CG TYR A 59 10.131 -1.457 0.205 1.00 1.00 C ATOM 867 CD1 TYR A 59 10.478 -1.024 1.494 1.00 1.00 C ATOM 868 CD2 TYR A 59 10.309 -2.813 -0.142 1.00 1.00 C ATOM 869 CE1 TYR A 59 10.991 -1.934 2.426 1.00 1.00 C ATOM 870 CE2 TYR A 59 10.822 -3.716 0.795 1.00 1.00 C ATOM 871 CZ TYR A 59 11.163 -3.276 2.076 1.00 1.00 C ATOM 872 OH TYR A 59 11.675 -4.166 2.996 1.00 1.00 O ATOM 0 H TYR A 59 9.891 1.575 0.584 1.00 1.00 H new ATOM 0 HA TYR A 59 11.644 0.160 -1.131 1.00 1.00 H new ATOM 0 HB2 TYR A 59 8.688 0.038 -0.408 1.00 1.00 H new ATOM 0 HB3 TYR A 59 9.281 -0.956 -1.724 1.00 1.00 H new ATOM 0 HD1 TYR A 59 10.349 0.013 1.767 1.00 1.00 H new ATOM 0 HD2 TYR A 59 10.049 -3.154 -1.133 1.00 1.00 H new ATOM 0 HE1 TYR A 59 11.255 -1.598 3.418 1.00 1.00 H new ATOM 0 HE2 TYR A 59 10.954 -4.754 0.528 1.00 1.00 H new ATOM 0 HH TYR A 59 11.729 -5.058 2.593 1.00 1.00 H new ATOM 882 N ILE A 60 9.485 2.168 -2.617 1.00 1.00 N ATOM 883 CA ILE A 60 9.157 2.817 -3.901 1.00 1.00 C ATOM 884 C ILE A 60 10.033 4.065 -4.076 1.00 1.00 C ATOM 885 O ILE A 60 10.490 4.298 -5.183 1.00 1.00 O ATOM 886 CB ILE A 60 7.643 3.186 -3.932 1.00 1.00 C ATOM 887 CG1 ILE A 60 6.794 1.903 -3.647 1.00 1.00 C ATOM 888 CG2 ILE A 60 7.264 3.762 -5.326 1.00 1.00 C ATOM 889 CD1 ILE A 60 5.308 2.252 -3.486 1.00 1.00 C ATOM 890 OXT ILE A 60 10.234 4.764 -3.097 1.00 1.00 O ATOM 0 H ILE A 60 8.927 2.491 -1.827 1.00 1.00 H new ATOM 0 HA ILE A 60 9.357 2.133 -4.726 1.00 1.00 H new ATOM 0 HB ILE A 60 7.440 3.939 -3.170 1.00 1.00 H new ATOM 0 HG12 ILE A 60 6.918 1.192 -4.464 1.00 1.00 H new ATOM 0 HG13 ILE A 60 7.157 1.416 -2.742 1.00 1.00 H new ATOM 0 HG21 ILE A 60 6.204 4.017 -5.338 1.00 1.00 H new ATOM 0 HG22 ILE A 60 7.855 4.657 -5.523 1.00 1.00 H new ATOM 0 HG23 ILE A 60 7.467 3.017 -6.095 1.00 1.00 H new ATOM 0 HD11 ILE A 60 4.740 1.343 -3.289 1.00 1.00 H new ATOM 0 HD12 ILE A 60 5.185 2.945 -2.653 1.00 1.00 H new ATOM 0 HD13 ILE A 60 4.942 2.717 -4.402 1.00 1.00 H new