USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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: X 54 LYS NZ :NH3+ -135:sc= 0.0515 (180deg=0) USER MOD Set 1.2: X 96 ASN : amide:sc= -0.577 K(o=-0.53,f=-3.5!) USER MOD Single : X 1 MET CE :methyl -154:sc= -0.141 (180deg=-1.07) USER MOD Single : X 1 MET N :NH3+ -163:sc= -0.0295 (180deg=-0.335) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : X 6 SER OG : rot 180:sc= -0.336 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 8 HIS : no HD1:sc= 0.288 K(o=0.29,f=-3.4!) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 16 LYS NZ :NH3+ -126:sc= 0.3 (180deg=-0.999) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -33:sc= 1.02 USER MOD Single : X 25 LYS NZ :NH3+ -163:sc= -0.0908 (180deg=-0.65) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 144:sc= 0.729 (180deg=0.157) USER MOD Single : X 39 LYS NZ :NH3+ -142:sc= -0.109 (180deg=-0.697) USER MOD Single : X 41 THR OG1 : rot -18:sc= 0.324 USER MOD Single : X 42 CYS SG : rot 180:sc= -1.99! USER MOD Single : X 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 62 CYS SG : rot 84:sc= 0.406 USER MOD Single : X 64 GLN : amide:sc= -0.0152 K(o=-0.015,f=-1.7!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -2.59 K(o=-2.6,f=-6.9!) USER MOD Single : X 69 THR OG1 : rot 93:sc= 1.2 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot -170:sc= -0.84 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.3!) USER MOD Single : X 87 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.073) USER MOD Single : X 92 LYS NZ :NH3+ -165:sc=-0.00868 (180deg=-0.207) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 98 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : X 100 MET CE :methyl 150:sc= -0.221 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.239 -6.634 -0.399 1.00 1.00 N ATOM 2 CA MET X 1 71.436 -8.072 -0.060 1.00 1.00 C ATOM 3 C MET X 1 71.195 -8.926 -1.307 1.00 1.00 C ATOM 4 O MET X 1 71.926 -8.847 -2.275 1.00 1.00 O ATOM 5 CB MET X 1 70.446 -8.477 1.034 1.00 1.00 C ATOM 6 CG MET X 1 70.775 -7.724 2.324 1.00 1.00 C ATOM 7 SD MET X 1 69.658 -8.267 3.640 1.00 1.00 S ATOM 8 CE MET X 1 68.142 -7.545 2.963 1.00 1.00 C ATOM 0 H1 MET X 1 71.671 -6.041 0.338 1.00 1.00 H new ATOM 0 H2 MET X 1 71.687 -6.429 -1.315 1.00 1.00 H new ATOM 0 H3 MET X 1 70.221 -6.427 -0.457 1.00 1.00 H new ATOM 0 HA MET X 1 72.455 -8.227 0.296 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.427 -8.252 0.719 1.00 1.00 H new ATOM 0 HB3 MET X 1 70.497 -9.552 1.205 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.810 -7.908 2.612 1.00 1.00 H new ATOM 0 HG3 MET X 1 70.674 -6.650 2.167 1.00 1.00 H new ATOM 0 HE1 MET X 1 67.441 -7.344 3.773 1.00 1.00 H new ATOM 0 HE2 MET X 1 68.380 -6.613 2.450 1.00 1.00 H new ATOM 0 HE3 MET X 1 67.691 -8.242 2.257 1.00 1.00 H new ATOM 20 N GLY X 2 70.178 -9.742 -1.292 1.00 1.00 N ATOM 21 CA GLY X 2 69.893 -10.600 -2.477 1.00 1.00 C ATOM 22 C GLY X 2 70.758 -11.860 -2.418 1.00 1.00 C ATOM 23 O GLY X 2 70.695 -12.710 -3.284 1.00 1.00 O ATOM 0 H GLY X 2 69.532 -9.852 -0.511 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.838 -10.872 -2.496 1.00 1.00 H new ATOM 0 HA3 GLY X 2 70.097 -10.049 -3.395 1.00 1.00 H new ATOM 27 N GLN X 3 71.567 -11.988 -1.402 1.00 1.00 N ATOM 28 CA GLN X 3 72.436 -13.192 -1.288 1.00 1.00 C ATOM 29 C GLN X 3 72.294 -13.795 0.112 1.00 1.00 C ATOM 30 O GLN X 3 71.837 -13.147 1.033 1.00 1.00 O ATOM 31 CB GLN X 3 73.895 -12.794 -1.526 1.00 1.00 C ATOM 32 CG GLN X 3 74.105 -12.489 -3.011 1.00 1.00 C ATOM 33 CD GLN X 3 75.549 -12.042 -3.241 1.00 1.00 C ATOM 34 OE1 GLN X 3 76.147 -11.413 -2.390 1.00 1.00 O ATOM 35 NE2 GLN X 3 76.141 -12.340 -4.365 1.00 1.00 N ATOM 0 H GLN X 3 71.663 -11.310 -0.646 1.00 1.00 H new ATOM 0 HA GLN X 3 72.134 -13.928 -2.033 1.00 1.00 H new ATOM 0 HB2 GLN X 3 74.147 -11.920 -0.925 1.00 1.00 H new ATOM 0 HB3 GLN X 3 74.559 -13.600 -1.212 1.00 1.00 H new ATOM 0 HG2 GLN X 3 73.887 -13.374 -3.609 1.00 1.00 H new ATOM 0 HG3 GLN X 3 73.416 -11.709 -3.334 1.00 1.00 H new ATOM 0 HE21 GLN X 3 75.641 -12.868 -5.080 1.00 1.00 H new ATOM 0 HE22 GLN X 3 77.104 -12.045 -4.528 1.00 1.00 H new ATOM 44 N GLU X 4 72.680 -15.030 0.280 1.00 1.00 N ATOM 45 CA GLU X 4 72.565 -15.672 1.619 1.00 1.00 C ATOM 46 C GLU X 4 73.447 -14.927 2.622 1.00 1.00 C ATOM 47 O GLU X 4 74.573 -14.576 2.332 1.00 1.00 O ATOM 48 CB GLU X 4 73.020 -17.130 1.526 1.00 1.00 C ATOM 49 CG GLU X 4 72.077 -17.903 0.603 1.00 1.00 C ATOM 50 CD GLU X 4 70.693 -17.996 1.248 1.00 1.00 C ATOM 51 OE1 GLU X 4 70.613 -17.847 2.457 1.00 1.00 O ATOM 52 OE2 GLU X 4 69.736 -18.213 0.524 1.00 1.00 O ATOM 0 H GLU X 4 73.070 -15.622 -0.453 1.00 1.00 H new ATOM 0 HA GLU X 4 71.527 -15.634 1.951 1.00 1.00 H new ATOM 0 HB2 GLU X 4 74.040 -17.180 1.145 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.028 -17.583 2.517 1.00 1.00 H new ATOM 0 HG2 GLU X 4 72.007 -17.403 -0.363 1.00 1.00 H new ATOM 0 HG3 GLU X 4 72.471 -18.902 0.417 1.00 1.00 H new ATOM 59 N LEU X 5 72.942 -14.679 3.800 1.00 1.00 N ATOM 60 CA LEU X 5 73.753 -13.957 4.821 1.00 1.00 C ATOM 61 C LEU X 5 74.544 -14.968 5.655 1.00 1.00 C ATOM 62 O LEU X 5 74.024 -15.575 6.570 1.00 1.00 O ATOM 63 CB LEU X 5 72.825 -13.155 5.737 1.00 1.00 C ATOM 64 CG LEU X 5 72.222 -11.987 4.956 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.162 -11.292 5.814 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.325 -10.988 4.600 1.00 1.00 C ATOM 0 H LEU X 5 72.004 -14.945 4.099 1.00 1.00 H new ATOM 0 HA LEU X 5 74.445 -13.279 4.321 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.032 -13.797 6.121 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.380 -12.783 6.598 1.00 1.00 H new ATOM 0 HG LEU X 5 71.761 -12.361 4.042 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.732 -10.459 5.257 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.376 -12.003 6.068 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.622 -10.918 6.729 1.00 1.00 H new ATOM 0 HD21 LEU X 5 72.896 -10.155 4.043 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.786 -10.614 5.514 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.080 -11.482 3.989 1.00 1.00 H new ATOM 78 N SER X 6 75.798 -15.153 5.346 1.00 1.00 N ATOM 79 CA SER X 6 76.625 -16.118 6.124 1.00 1.00 C ATOM 80 C SER X 6 77.076 -15.468 7.434 1.00 1.00 C ATOM 81 O SER X 6 76.959 -14.273 7.618 1.00 1.00 O ATOM 82 CB SER X 6 77.852 -16.515 5.304 1.00 1.00 C ATOM 83 OG SER X 6 78.476 -15.344 4.795 1.00 1.00 O ATOM 0 H SER X 6 76.286 -14.677 4.587 1.00 1.00 H new ATOM 0 HA SER X 6 76.032 -17.006 6.345 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.553 -17.074 5.924 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.559 -17.171 4.484 1.00 1.00 H new ATOM 0 HG SER X 6 79.264 -15.595 4.270 1.00 1.00 H new ATOM 89 N GLN X 7 77.591 -16.246 8.347 1.00 1.00 N ATOM 90 CA GLN X 7 78.047 -15.671 9.644 1.00 1.00 C ATOM 91 C GLN X 7 78.971 -14.482 9.377 1.00 1.00 C ATOM 92 O GLN X 7 78.886 -13.458 10.027 1.00 1.00 O ATOM 93 CB GLN X 7 78.804 -16.738 10.440 1.00 1.00 C ATOM 94 CG GLN X 7 79.266 -16.150 11.774 1.00 1.00 C ATOM 95 CD GLN X 7 79.937 -17.243 12.609 1.00 1.00 C ATOM 96 OE1 GLN X 7 80.937 -17.804 12.206 1.00 1.00 O ATOM 97 NE2 GLN X 7 79.425 -17.571 13.763 1.00 1.00 N ATOM 0 H GLN X 7 77.715 -17.254 8.251 1.00 1.00 H new ATOM 0 HA GLN X 7 77.182 -15.338 10.217 1.00 1.00 H new ATOM 0 HB2 GLN X 7 78.161 -17.601 10.614 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.663 -17.091 9.869 1.00 1.00 H new ATOM 0 HG2 GLN X 7 79.964 -15.331 11.600 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.415 -15.735 12.315 1.00 1.00 H new ATOM 0 HE21 GLN X 7 78.586 -17.100 14.101 1.00 1.00 H new ATOM 0 HE22 GLN X 7 79.864 -18.298 14.327 1.00 1.00 H new ATOM 106 N HIS X 8 79.855 -14.607 8.426 1.00 1.00 N ATOM 107 CA HIS X 8 80.784 -13.484 8.117 1.00 1.00 C ATOM 108 C HIS X 8 79.988 -12.295 7.575 1.00 1.00 C ATOM 109 O HIS X 8 80.151 -11.174 8.015 1.00 1.00 O ATOM 110 CB HIS X 8 81.800 -13.936 7.067 1.00 1.00 C ATOM 111 CG HIS X 8 82.757 -12.813 6.779 1.00 1.00 C ATOM 112 ND1 HIS X 8 83.715 -12.402 7.694 1.00 1.00 N ATOM 113 CD2 HIS X 8 82.917 -12.002 5.680 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.403 -11.388 7.138 1.00 1.00 C ATOM 115 NE2 HIS X 8 83.956 -11.108 5.913 1.00 1.00 N ATOM 0 H HIS X 8 79.974 -15.439 7.849 1.00 1.00 H new ATOM 0 HA HIS X 8 81.307 -13.187 9.026 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.345 -14.809 7.425 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.286 -14.234 6.153 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.327 -12.052 4.777 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.215 -10.866 7.623 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.304 -10.388 5.279 1.00 1.00 H new ATOM 123 N GLU X 9 79.125 -12.530 6.624 1.00 1.00 N ATOM 124 CA GLU X 9 78.321 -11.411 6.056 1.00 1.00 C ATOM 125 C GLU X 9 77.467 -10.786 7.162 1.00 1.00 C ATOM 126 O GLU X 9 77.297 -9.585 7.223 1.00 1.00 O ATOM 127 CB GLU X 9 77.411 -11.949 4.949 1.00 1.00 C ATOM 128 CG GLU X 9 78.260 -12.369 3.748 1.00 1.00 C ATOM 129 CD GLU X 9 77.348 -12.879 2.632 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.143 -12.751 2.773 1.00 1.00 O ATOM 131 OE2 GLU X 9 77.870 -13.391 1.655 1.00 1.00 O ATOM 0 H GLU X 9 78.942 -13.447 6.217 1.00 1.00 H new ATOM 0 HA GLU X 9 78.988 -10.655 5.642 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.837 -12.799 5.317 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.693 -11.185 4.651 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.850 -11.524 3.393 1.00 1.00 H new ATOM 0 HG3 GLU X 9 78.964 -13.148 4.041 1.00 1.00 H new ATOM 138 N ARG X 10 76.931 -11.592 8.037 1.00 1.00 N ATOM 139 CA ARG X 10 76.094 -11.046 9.142 1.00 1.00 C ATOM 140 C ARG X 10 76.953 -10.154 10.042 1.00 1.00 C ATOM 141 O ARG X 10 76.499 -9.144 10.543 1.00 1.00 O ATOM 142 CB ARG X 10 75.523 -12.202 9.967 1.00 1.00 C ATOM 143 CG ARG X 10 74.458 -12.936 9.150 1.00 1.00 C ATOM 144 CD ARG X 10 73.896 -14.100 9.969 1.00 1.00 C ATOM 145 NE ARG X 10 72.867 -14.821 9.169 1.00 1.00 N ATOM 146 CZ ARG X 10 72.089 -15.697 9.743 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.212 -15.940 11.019 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.188 -16.329 9.043 1.00 1.00 N ATOM 0 H ARG X 10 77.037 -12.606 8.034 1.00 1.00 H new ATOM 0 HA ARG X 10 75.277 -10.459 8.722 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.320 -12.891 10.247 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.089 -11.823 10.892 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.657 -12.249 8.878 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.890 -13.307 8.220 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.699 -14.783 10.248 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.457 -13.728 10.895 1.00 1.00 H new ATOM 0 HE ARG X 10 72.771 -14.630 8.172 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.916 -15.445 11.567 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.604 -16.625 11.469 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.091 -16.139 8.046 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.580 -17.014 9.493 1.00 1.00 H new ATOM 162 N TYR X 11 78.187 -10.518 10.251 1.00 1.00 N ATOM 163 CA TYR X 11 79.073 -9.684 11.111 1.00 1.00 C ATOM 164 C TYR X 11 79.195 -8.283 10.508 1.00 1.00 C ATOM 165 O TYR X 11 79.159 -7.291 11.207 1.00 1.00 O ATOM 166 CB TYR X 11 80.459 -10.327 11.192 1.00 1.00 C ATOM 167 CG TYR X 11 81.387 -9.423 11.968 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.265 -9.321 13.359 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.371 -8.686 11.298 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.124 -8.483 14.079 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.232 -7.849 12.017 1.00 1.00 C ATOM 172 CZ TYR X 11 83.109 -7.747 13.408 1.00 1.00 C ATOM 173 OH TYR X 11 83.956 -6.921 14.117 1.00 1.00 O ATOM 0 H TYR X 11 78.621 -11.356 9.864 1.00 1.00 H new ATOM 0 HA TYR X 11 78.647 -9.614 12.112 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.392 -11.301 11.677 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.853 -10.496 10.190 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.507 -9.890 13.877 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.466 -8.763 10.225 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.027 -8.404 15.152 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.991 -7.282 11.499 1.00 1.00 H new ATOM 0 HH TYR X 11 84.580 -6.485 13.500 1.00 1.00 H new ATOM 183 N VAL X 12 79.341 -8.193 9.214 1.00 1.00 N ATOM 184 CA VAL X 12 79.468 -6.855 8.571 1.00 1.00 C ATOM 185 C VAL X 12 78.192 -6.051 8.821 1.00 1.00 C ATOM 186 O VAL X 12 78.238 -4.879 9.137 1.00 1.00 O ATOM 187 CB VAL X 12 79.670 -7.028 7.065 1.00 1.00 C ATOM 188 CG1 VAL X 12 80.186 -5.717 6.467 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.694 -8.138 6.814 1.00 1.00 C ATOM 0 H VAL X 12 79.378 -8.987 8.575 1.00 1.00 H new ATOM 0 HA VAL X 12 80.323 -6.328 8.994 1.00 1.00 H new ATOM 0 HB VAL X 12 78.721 -7.293 6.598 1.00 1.00 H new ATOM 0 HG11 VAL X 12 80.331 -5.839 5.394 1.00 1.00 H new ATOM 0 HG12 VAL X 12 79.460 -4.924 6.648 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.135 -5.453 6.933 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.839 -8.263 5.741 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.642 -7.870 7.280 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.330 -9.072 7.242 1.00 1.00 H new ATOM 199 N GLU X 13 77.054 -6.672 8.684 1.00 1.00 N ATOM 200 CA GLU X 13 75.777 -5.942 8.910 1.00 1.00 C ATOM 201 C GLU X 13 75.781 -5.337 10.314 1.00 1.00 C ATOM 202 O GLU X 13 75.388 -4.205 10.513 1.00 1.00 O ATOM 203 CB GLU X 13 74.602 -6.913 8.776 1.00 1.00 C ATOM 204 CG GLU X 13 73.288 -6.158 8.994 1.00 1.00 C ATOM 205 CD GLU X 13 72.109 -7.092 8.713 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.329 -8.122 8.097 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.007 -6.760 9.117 1.00 1.00 O ATOM 0 H GLU X 13 76.954 -7.654 8.425 1.00 1.00 H new ATOM 0 HA GLU X 13 75.676 -5.148 8.171 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.609 -7.375 7.789 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.697 -7.718 9.505 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.235 -5.787 10.017 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.242 -5.290 8.337 1.00 1.00 H new ATOM 214 N GLN X 14 76.222 -6.080 11.293 1.00 1.00 N ATOM 215 CA GLN X 14 76.249 -5.537 12.679 1.00 1.00 C ATOM 216 C GLN X 14 77.226 -4.364 12.731 1.00 1.00 C ATOM 217 O GLN X 14 77.022 -3.405 13.449 1.00 1.00 O ATOM 218 CB GLN X 14 76.708 -6.628 13.648 1.00 1.00 C ATOM 219 CG GLN X 14 76.631 -6.103 15.083 1.00 1.00 C ATOM 220 CD GLN X 14 77.093 -7.194 16.052 1.00 1.00 C ATOM 221 OE1 GLN X 14 78.219 -7.643 15.986 1.00 1.00 O ATOM 222 NE2 GLN X 14 76.264 -7.642 16.955 1.00 1.00 N ATOM 0 H GLN X 14 76.563 -7.036 11.193 1.00 1.00 H new ATOM 0 HA GLN X 14 75.252 -5.202 12.964 1.00 1.00 H new ATOM 0 HB2 GLN X 14 76.081 -7.513 13.539 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.729 -6.930 13.415 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.257 -5.217 15.191 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.610 -5.803 15.317 1.00 1.00 H new ATOM 0 HE21 GLN X 14 75.318 -7.265 17.011 1.00 1.00 H new ATOM 0 HE22 GLN X 14 76.562 -8.369 17.605 1.00 1.00 H new ATOM 231 N LEU X 15 78.294 -4.437 11.987 1.00 1.00 N ATOM 232 CA LEU X 15 79.283 -3.326 12.000 1.00 1.00 C ATOM 233 C LEU X 15 78.607 -2.057 11.479 1.00 1.00 C ATOM 234 O LEU X 15 78.792 -0.979 12.008 1.00 1.00 O ATOM 235 CB LEU X 15 80.467 -3.684 11.099 1.00 1.00 C ATOM 236 CG LEU X 15 81.471 -2.531 11.095 1.00 1.00 C ATOM 237 CD1 LEU X 15 81.946 -2.261 12.524 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.670 -2.905 10.221 1.00 1.00 C ATOM 0 H LEU X 15 78.524 -5.217 11.372 1.00 1.00 H new ATOM 0 HA LEU X 15 79.644 -3.162 13.016 1.00 1.00 H new ATOM 0 HB2 LEU X 15 80.946 -4.596 11.455 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.119 -3.881 10.085 1.00 1.00 H new ATOM 0 HG LEU X 15 80.994 -1.635 10.697 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.662 -1.439 12.520 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.092 -1.996 13.147 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.423 -3.156 12.924 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.387 -2.084 10.217 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.146 -3.801 10.620 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.332 -3.097 9.203 1.00 1.00 H new ATOM 250 N LYS X 16 77.824 -2.181 10.441 1.00 1.00 N ATOM 251 CA LYS X 16 77.127 -0.991 9.881 1.00 1.00 C ATOM 252 C LYS X 16 76.187 -0.407 10.935 1.00 1.00 C ATOM 253 O LYS X 16 76.102 0.792 11.108 1.00 1.00 O ATOM 254 CB LYS X 16 76.319 -1.405 8.649 1.00 1.00 C ATOM 255 CG LYS X 16 75.676 -0.166 8.022 1.00 1.00 C ATOM 256 CD LYS X 16 74.943 -0.568 6.740 1.00 1.00 C ATOM 257 CE LYS X 16 74.290 0.668 6.118 1.00 1.00 C ATOM 258 NZ LYS X 16 73.622 0.286 4.841 1.00 1.00 N ATOM 0 H LYS X 16 77.638 -3.059 9.956 1.00 1.00 H new ATOM 0 HA LYS X 16 77.864 -0.240 9.596 1.00 1.00 H new ATOM 0 HB2 LYS X 16 76.967 -1.898 7.924 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.550 -2.124 8.930 1.00 1.00 H new ATOM 0 HG2 LYS X 16 74.979 0.291 8.725 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.439 0.580 7.799 1.00 1.00 H new ATOM 0 HD2 LYS X 16 75.642 -1.017 6.034 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.186 -1.320 6.962 1.00 1.00 H new ATOM 0 HE2 LYS X 16 73.562 1.095 6.808 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.042 1.435 5.933 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.966 0.897 4.073 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 73.840 -0.706 4.618 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 72.593 0.401 4.940 1.00 1.00 H new ATOM 272 N GLN X 17 75.478 -1.244 11.642 1.00 1.00 N ATOM 273 CA GLN X 17 74.546 -0.730 12.682 1.00 1.00 C ATOM 274 C GLN X 17 75.325 0.143 13.666 1.00 1.00 C ATOM 275 O GLN X 17 74.906 1.228 14.018 1.00 1.00 O ATOM 276 CB GLN X 17 73.913 -1.905 13.429 1.00 1.00 C ATOM 277 CG GLN X 17 73.018 -2.696 12.475 1.00 1.00 C ATOM 278 CD GLN X 17 72.474 -3.934 13.190 1.00 1.00 C ATOM 279 OE1 GLN X 17 72.815 -4.192 14.328 1.00 1.00 O ATOM 280 NE2 GLN X 17 71.639 -4.719 12.567 1.00 1.00 N ATOM 0 H GLN X 17 75.504 -2.259 11.544 1.00 1.00 H new ATOM 0 HA GLN X 17 73.760 -0.140 12.211 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.690 -2.552 13.835 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.329 -1.540 14.274 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.194 -2.071 12.131 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.583 -2.993 11.592 1.00 1.00 H new ATOM 0 HE21 GLN X 17 71.352 -4.504 11.612 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.273 -5.548 13.035 1.00 1.00 H new ATOM 289 N ALA X 18 76.458 -0.325 14.114 1.00 1.00 N ATOM 290 CA ALA X 18 77.270 0.477 15.071 1.00 1.00 C ATOM 291 C ALA X 18 77.735 1.763 14.389 1.00 1.00 C ATOM 292 O ALA X 18 77.714 2.829 14.972 1.00 1.00 O ATOM 293 CB ALA X 18 78.489 -0.336 15.512 1.00 1.00 C ATOM 0 H ALA X 18 76.856 -1.229 13.858 1.00 1.00 H new ATOM 0 HA ALA X 18 76.665 0.726 15.943 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.084 0.251 16.212 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.158 -1.254 15.997 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.095 -0.584 14.641 1.00 1.00 H new ATOM 299 N LEU X 19 78.155 1.674 13.156 1.00 1.00 N ATOM 300 CA LEU X 19 78.619 2.893 12.441 1.00 1.00 C ATOM 301 C LEU X 19 77.447 3.862 12.280 1.00 1.00 C ATOM 302 O LEU X 19 77.599 5.062 12.400 1.00 1.00 O ATOM 303 CB LEU X 19 79.155 2.505 11.060 1.00 1.00 C ATOM 304 CG LEU X 19 80.486 1.768 11.217 1.00 1.00 C ATOM 305 CD1 LEU X 19 80.939 1.231 9.857 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.542 2.735 11.758 1.00 1.00 C ATOM 0 H LEU X 19 78.196 0.810 12.615 1.00 1.00 H new ATOM 0 HA LEU X 19 79.413 3.372 13.015 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.435 1.870 10.544 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.291 3.396 10.447 1.00 1.00 H new ATOM 0 HG LEU X 19 80.360 0.937 11.911 1.00 1.00 H new ATOM 0 HD11 LEU X 19 81.888 0.706 9.971 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.188 0.543 9.469 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.065 2.061 9.162 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.491 2.211 11.871 1.00 1.00 H new ATOM 0 HD22 LEU X 19 81.666 3.565 11.062 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.222 3.118 12.727 1.00 1.00 H new ATOM 318 N LYS X 20 76.277 3.350 12.011 1.00 1.00 N ATOM 319 CA LYS X 20 75.097 4.242 11.837 1.00 1.00 C ATOM 320 C LYS X 20 74.855 5.016 13.133 1.00 1.00 C ATOM 321 O LYS X 20 74.523 6.186 13.118 1.00 1.00 O ATOM 322 CB LYS X 20 73.864 3.397 11.509 1.00 1.00 C ATOM 323 CG LYS X 20 72.673 4.317 11.229 1.00 1.00 C ATOM 324 CD LYS X 20 71.439 3.473 10.905 1.00 1.00 C ATOM 325 CE LYS X 20 70.271 4.393 10.547 1.00 1.00 C ATOM 326 NZ LYS X 20 69.088 3.569 10.172 1.00 1.00 N ATOM 0 H LYS X 20 76.088 2.353 11.904 1.00 1.00 H new ATOM 0 HA LYS X 20 75.283 4.942 11.023 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.062 2.767 10.642 1.00 1.00 H new ATOM 0 HB3 LYS X 20 73.635 2.731 12.341 1.00 1.00 H new ATOM 0 HG2 LYS X 20 72.477 4.949 12.095 1.00 1.00 H new ATOM 0 HG3 LYS X 20 72.901 4.981 10.395 1.00 1.00 H new ATOM 0 HD2 LYS X 20 71.653 2.800 10.075 1.00 1.00 H new ATOM 0 HD3 LYS X 20 71.176 2.850 11.760 1.00 1.00 H new ATOM 0 HE2 LYS X 20 70.027 5.035 11.393 1.00 1.00 H new ATOM 0 HE3 LYS X 20 70.549 5.047 9.720 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 68.293 4.194 9.928 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 69.325 2.974 9.352 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 68.819 2.963 10.973 1.00 1.00 H new ATOM 340 N THR X 21 75.021 4.373 14.256 1.00 1.00 N ATOM 341 CA THR X 21 74.810 5.072 15.554 1.00 1.00 C ATOM 342 C THR X 21 75.869 6.164 15.718 1.00 1.00 C ATOM 343 O THR X 21 75.638 7.176 16.349 1.00 1.00 O ATOM 344 CB THR X 21 74.930 4.066 16.700 1.00 1.00 C ATOM 345 OG1 THR X 21 76.267 3.590 16.770 1.00 1.00 O ATOM 346 CG2 THR X 21 73.981 2.893 16.453 1.00 1.00 C ATOM 0 H THR X 21 75.294 3.393 14.330 1.00 1.00 H new ATOM 0 HA THR X 21 73.817 5.522 15.571 1.00 1.00 H new ATOM 0 HB THR X 21 74.666 4.551 17.640 1.00 1.00 H new ATOM 0 HG1 THR X 21 76.649 3.555 15.868 1.00 1.00 H new ATOM 0 HG21 THR X 21 74.067 2.177 17.270 1.00 1.00 H new ATOM 0 HG22 THR X 21 72.956 3.260 16.399 1.00 1.00 H new ATOM 0 HG23 THR X 21 74.242 2.405 15.514 1.00 1.00 H new ATOM 354 N ARG X 22 77.030 5.967 15.154 1.00 1.00 N ATOM 355 CA ARG X 22 78.098 6.999 15.274 1.00 1.00 C ATOM 356 C ARG X 22 77.778 8.163 14.336 1.00 1.00 C ATOM 357 O ARG X 22 78.301 9.250 14.480 1.00 1.00 O ATOM 358 CB ARG X 22 79.444 6.385 14.883 1.00 1.00 C ATOM 359 CG ARG X 22 79.868 5.369 15.946 1.00 1.00 C ATOM 360 CD ARG X 22 81.192 4.723 15.536 1.00 1.00 C ATOM 361 NE ARG X 22 81.595 3.719 16.560 1.00 1.00 N ATOM 362 CZ ARG X 22 82.204 4.105 17.649 1.00 1.00 C ATOM 363 NH1 ARG X 22 82.466 5.368 17.839 1.00 1.00 N ATOM 364 NH2 ARG X 22 82.553 3.224 18.547 1.00 1.00 N ATOM 0 H ARG X 22 77.284 5.138 14.617 1.00 1.00 H new ATOM 0 HA ARG X 22 78.148 7.359 16.302 1.00 1.00 H new ATOM 0 HB2 ARG X 22 79.366 5.899 13.911 1.00 1.00 H new ATOM 0 HB3 ARG X 22 80.199 7.166 14.789 1.00 1.00 H new ATOM 0 HG2 ARG X 22 79.976 5.862 16.912 1.00 1.00 H new ATOM 0 HG3 ARG X 22 79.099 4.605 16.061 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.088 4.243 14.563 1.00 1.00 H new ATOM 0 HD3 ARG X 22 81.965 5.485 15.435 1.00 1.00 H new ATOM 0 HE ARG X 22 81.395 2.730 16.411 1.00 1.00 H new ATOM 0 HH11 ARG X 22 82.195 6.056 17.137 1.00 1.00 H new ATOM 0 HH12 ARG X 22 82.942 5.668 18.690 1.00 1.00 H new ATOM 0 HH21 ARG X 22 82.350 2.236 18.398 1.00 1.00 H new ATOM 0 HH22 ARG X 22 83.029 3.524 19.398 1.00 1.00 H new ATOM 378 N GLY X 23 76.928 7.945 13.371 1.00 1.00 N ATOM 379 CA GLY X 23 76.589 9.039 12.419 1.00 1.00 C ATOM 380 C GLY X 23 77.108 8.676 11.027 1.00 1.00 C ATOM 381 O GLY X 23 77.752 9.468 10.367 1.00 1.00 O ATOM 0 H GLY X 23 76.454 7.058 13.201 1.00 1.00 H new ATOM 0 HA2 GLY X 23 75.510 9.190 12.390 1.00 1.00 H new ATOM 0 HA3 GLY X 23 77.033 9.977 12.752 1.00 1.00 H new ATOM 385 N VAL X 24 76.834 7.482 10.575 1.00 1.00 N ATOM 386 CA VAL X 24 77.307 7.068 9.225 1.00 1.00 C ATOM 387 C VAL X 24 76.109 6.641 8.376 1.00 1.00 C ATOM 388 O VAL X 24 75.239 5.924 8.828 1.00 1.00 O ATOM 389 CB VAL X 24 78.278 5.895 9.363 1.00 1.00 C ATOM 390 CG1 VAL X 24 78.514 5.263 7.990 1.00 1.00 C ATOM 391 CG2 VAL X 24 79.609 6.400 9.927 1.00 1.00 C ATOM 0 H VAL X 24 76.302 6.776 11.084 1.00 1.00 H new ATOM 0 HA VAL X 24 77.814 7.904 8.744 1.00 1.00 H new ATOM 0 HB VAL X 24 77.855 5.150 10.037 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.206 4.427 8.088 1.00 1.00 H new ATOM 0 HG12 VAL X 24 77.567 4.904 7.587 1.00 1.00 H new ATOM 0 HG13 VAL X 24 78.937 6.007 7.315 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.302 5.565 10.026 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.031 7.144 9.252 1.00 1.00 H new ATOM 0 HG23 VAL X 24 79.442 6.851 10.905 1.00 1.00 H new ATOM 401 N LYS X 25 76.054 7.076 7.146 1.00 1.00 N ATOM 402 CA LYS X 25 74.907 6.695 6.276 1.00 1.00 C ATOM 403 C LYS X 25 75.441 6.204 4.929 1.00 1.00 C ATOM 404 O LYS X 25 75.814 6.984 4.076 1.00 1.00 O ATOM 405 CB LYS X 25 74.009 7.914 6.056 1.00 1.00 C ATOM 406 CG LYS X 25 73.412 8.356 7.394 1.00 1.00 C ATOM 407 CD LYS X 25 72.476 9.545 7.167 1.00 1.00 C ATOM 408 CE LYS X 25 71.912 10.014 8.510 1.00 1.00 C ATOM 409 NZ LYS X 25 71.201 8.885 9.171 1.00 1.00 N ATOM 0 H LYS X 25 76.752 7.677 6.708 1.00 1.00 H new ATOM 0 HA LYS X 25 74.330 5.902 6.753 1.00 1.00 H new ATOM 0 HB2 LYS X 25 74.585 8.728 5.616 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.212 7.670 5.353 1.00 1.00 H new ATOM 0 HG2 LYS X 25 72.865 7.531 7.851 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.208 8.633 8.086 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.016 10.359 6.683 1.00 1.00 H new ATOM 0 HD3 LYS X 25 71.663 9.259 6.499 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.718 10.374 9.149 1.00 1.00 H new ATOM 0 HE3 LYS X 25 71.228 10.849 8.358 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 70.583 9.255 9.921 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 70.626 8.378 8.468 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.896 8.232 9.586 1.00 1.00 H new ATOM 423 N VAL X 26 75.481 4.913 4.734 1.00 1.00 N ATOM 424 CA VAL X 26 75.989 4.371 3.443 1.00 1.00 C ATOM 425 C VAL X 26 75.058 3.259 2.959 1.00 1.00 C ATOM 426 O VAL X 26 74.286 2.705 3.717 1.00 1.00 O ATOM 427 CB VAL X 26 77.397 3.808 3.646 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.353 4.943 4.020 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.372 2.772 4.770 1.00 1.00 C ATOM 0 H VAL X 26 75.184 4.212 5.413 1.00 1.00 H new ATOM 0 HA VAL X 26 76.021 5.167 2.699 1.00 1.00 H new ATOM 0 HB VAL X 26 77.737 3.337 2.723 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.356 4.541 4.165 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.370 5.683 3.220 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.015 5.415 4.943 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.374 2.370 4.916 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.032 3.244 5.692 1.00 1.00 H new ATOM 0 HG23 VAL X 26 76.692 1.963 4.504 1.00 1.00 H new ATOM 439 N LYS X 27 75.124 2.927 1.698 1.00 1.00 N ATOM 440 CA LYS X 27 74.241 1.853 1.162 1.00 1.00 C ATOM 441 C LYS X 27 74.747 0.491 1.642 1.00 1.00 C ATOM 442 O LYS X 27 75.934 0.276 1.788 1.00 1.00 O ATOM 443 CB LYS X 27 74.258 1.893 -0.367 1.00 1.00 C ATOM 444 CG LYS X 27 73.724 3.243 -0.850 1.00 1.00 C ATOM 445 CD LYS X 27 73.769 3.295 -2.378 1.00 1.00 C ATOM 446 CE LYS X 27 73.329 4.681 -2.855 1.00 1.00 C ATOM 447 NZ LYS X 27 73.373 4.732 -4.343 1.00 1.00 N ATOM 0 H LYS X 27 75.751 3.353 1.016 1.00 1.00 H new ATOM 0 HA LYS X 27 73.223 2.009 1.518 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.273 1.739 -0.734 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.648 1.084 -0.769 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.701 3.387 -0.501 1.00 1.00 H new ATOM 0 HG3 LYS X 27 74.321 4.053 -0.431 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.778 3.081 -2.730 1.00 1.00 H new ATOM 0 HD3 LYS X 27 73.116 2.530 -2.798 1.00 1.00 H new ATOM 0 HE2 LYS X 27 72.320 4.895 -2.503 1.00 1.00 H new ATOM 0 HE3 LYS X 27 73.982 5.446 -2.435 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 73.074 5.674 -4.667 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 74.343 4.546 -4.668 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 72.733 4.012 -4.734 1.00 1.00 H new ATOM 461 N TYR X 28 73.857 -0.431 1.888 1.00 1.00 N ATOM 462 CA TYR X 28 74.291 -1.776 2.356 1.00 1.00 C ATOM 463 C TYR X 28 75.136 -2.441 1.268 1.00 1.00 C ATOM 464 O TYR X 28 76.140 -3.067 1.542 1.00 1.00 O ATOM 465 CB TYR X 28 73.060 -2.637 2.649 1.00 1.00 C ATOM 466 CG TYR X 28 73.498 -3.975 3.197 1.00 1.00 C ATOM 467 CD1 TYR X 28 73.858 -4.096 4.545 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.543 -5.095 2.357 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.263 -5.337 5.052 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.948 -6.334 2.864 1.00 1.00 C ATOM 471 CZ TYR X 28 74.308 -6.456 4.211 1.00 1.00 C ATOM 472 OH TYR X 28 74.708 -7.679 4.712 1.00 1.00 O ATOM 0 H TYR X 28 72.849 -0.311 1.785 1.00 1.00 H new ATOM 0 HA TYR X 28 74.883 -1.674 3.265 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.413 -2.133 3.367 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.477 -2.778 1.739 1.00 1.00 H new ATOM 0 HD1 TYR X 28 73.823 -3.233 5.193 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.265 -5.002 1.318 1.00 1.00 H new ATOM 0 HE1 TYR X 28 74.541 -5.431 6.091 1.00 1.00 H new ATOM 0 HE2 TYR X 28 73.983 -7.197 2.216 1.00 1.00 H new ATOM 0 HH TYR X 28 74.682 -8.349 3.998 1.00 1.00 H new ATOM 482 N ALA X 29 74.735 -2.308 0.032 1.00 1.00 N ATOM 483 CA ALA X 29 75.513 -2.930 -1.075 1.00 1.00 C ATOM 484 C ALA X 29 76.963 -2.448 -1.011 1.00 1.00 C ATOM 485 O ALA X 29 77.885 -3.181 -1.313 1.00 1.00 O ATOM 486 CB ALA X 29 74.902 -2.526 -2.418 1.00 1.00 C ATOM 0 H ALA X 29 73.902 -1.795 -0.258 1.00 1.00 H new ATOM 0 HA ALA X 29 75.484 -4.015 -0.974 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.471 -2.981 -3.228 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.868 -2.867 -2.465 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.931 -1.441 -2.519 1.00 1.00 H new ATOM 492 N ASP X 30 77.174 -1.221 -0.620 1.00 1.00 N ATOM 493 CA ASP X 30 78.565 -0.693 -0.542 1.00 1.00 C ATOM 494 C ASP X 30 79.382 -1.553 0.424 1.00 1.00 C ATOM 495 O ASP X 30 80.539 -1.840 0.189 1.00 1.00 O ATOM 496 CB ASP X 30 78.536 0.751 -0.038 1.00 1.00 C ATOM 497 CG ASP X 30 79.966 1.276 0.089 1.00 1.00 C ATOM 498 OD1 ASP X 30 80.495 1.743 -0.906 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.509 1.204 1.179 1.00 1.00 O ATOM 0 H ASP X 30 76.443 -0.562 -0.351 1.00 1.00 H new ATOM 0 HA ASP X 30 79.021 -0.723 -1.532 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.968 1.376 -0.727 1.00 1.00 H new ATOM 0 HB3 ASP X 30 78.032 0.800 0.927 1.00 1.00 H new ATOM 504 N LEU X 31 78.788 -1.968 1.509 1.00 1.00 N ATOM 505 CA LEU X 31 79.528 -2.820 2.482 1.00 1.00 C ATOM 506 C LEU X 31 79.925 -4.134 1.808 1.00 1.00 C ATOM 507 O LEU X 31 81.030 -4.615 1.964 1.00 1.00 O ATOM 508 CB LEU X 31 78.632 -3.114 3.688 1.00 1.00 C ATOM 509 CG LEU X 31 78.741 -1.969 4.695 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.137 -1.967 5.320 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.502 -0.637 3.979 1.00 1.00 C ATOM 0 H LEU X 31 77.824 -1.754 1.764 1.00 1.00 H new ATOM 0 HA LEU X 31 80.424 -2.297 2.816 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.597 -3.232 3.366 1.00 1.00 H new ATOM 0 HB3 LEU X 31 78.929 -4.053 4.155 1.00 1.00 H new ATOM 0 HG LEU X 31 77.994 -2.102 5.477 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.213 -1.150 6.038 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.309 -2.915 5.830 1.00 1.00 H new ATOM 0 HD13 LEU X 31 80.885 -1.834 4.539 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.579 0.180 4.696 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.249 -0.505 3.196 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.507 -0.636 3.534 1.00 1.00 H new ATOM 523 N LEU X 32 79.031 -4.720 1.059 1.00 1.00 N ATOM 524 CA LEU X 32 79.359 -5.999 0.369 1.00 1.00 C ATOM 525 C LEU X 32 80.420 -5.741 -0.702 1.00 1.00 C ATOM 526 O LEU X 32 81.346 -6.509 -0.870 1.00 1.00 O ATOM 527 CB LEU X 32 78.096 -6.562 -0.288 1.00 1.00 C ATOM 528 CG LEU X 32 77.122 -7.029 0.795 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.803 -7.455 0.146 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.727 -8.216 1.546 1.00 1.00 C ATOM 0 H LEU X 32 78.088 -4.368 0.895 1.00 1.00 H new ATOM 0 HA LEU X 32 79.742 -6.717 1.094 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.626 -5.800 -0.910 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.354 -7.394 -0.943 1.00 1.00 H new ATOM 0 HG LEU X 32 76.936 -6.213 1.493 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.109 -7.788 0.918 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.372 -6.610 -0.390 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.988 -8.271 -0.552 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.034 -8.550 2.318 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.913 -9.032 0.848 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.667 -7.913 2.008 1.00 1.00 H new ATOM 542 N LYS X 33 80.295 -4.663 -1.428 1.00 1.00 N ATOM 543 CA LYS X 33 81.298 -4.361 -2.487 1.00 1.00 C ATOM 544 C LYS X 33 82.656 -4.088 -1.839 1.00 1.00 C ATOM 545 O LYS X 33 83.688 -4.481 -2.348 1.00 1.00 O ATOM 546 CB LYS X 33 80.852 -3.128 -3.277 1.00 1.00 C ATOM 547 CG LYS X 33 79.603 -3.468 -4.094 1.00 1.00 C ATOM 548 CD LYS X 33 79.167 -2.240 -4.896 1.00 1.00 C ATOM 549 CE LYS X 33 77.952 -2.596 -5.754 1.00 1.00 C ATOM 550 NZ LYS X 33 77.526 -1.399 -6.534 1.00 1.00 N ATOM 0 H LYS X 33 79.543 -3.980 -1.333 1.00 1.00 H new ATOM 0 HA LYS X 33 81.382 -5.213 -3.162 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.640 -2.304 -2.596 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.653 -2.798 -3.938 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.811 -4.300 -4.767 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.798 -3.787 -3.432 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.921 -1.420 -4.221 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.985 -1.897 -5.530 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.198 -3.415 -6.430 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.134 -2.940 -5.121 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 77.188 -1.698 -7.471 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.759 -0.911 -6.029 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 78.333 -0.753 -6.646 1.00 1.00 H new ATOM 564 N PHE X 34 82.667 -3.420 -0.718 1.00 1.00 N ATOM 565 CA PHE X 34 83.959 -3.120 -0.040 1.00 1.00 C ATOM 566 C PHE X 34 84.692 -4.429 0.260 1.00 1.00 C ATOM 567 O PHE X 34 85.865 -4.574 -0.025 1.00 1.00 O ATOM 568 CB PHE X 34 83.689 -2.376 1.269 1.00 1.00 C ATOM 569 CG PHE X 34 84.977 -2.238 2.045 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.040 -1.498 1.512 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.109 -2.849 3.298 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.234 -1.370 2.232 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.303 -2.721 4.018 1.00 1.00 C ATOM 574 CZ PHE X 34 87.365 -1.981 3.485 1.00 1.00 C ATOM 0 H PHE X 34 81.836 -3.069 -0.242 1.00 1.00 H new ATOM 0 HA PHE X 34 84.574 -2.498 -0.690 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.271 -1.391 1.060 1.00 1.00 H new ATOM 0 HB3 PHE X 34 82.951 -2.917 1.862 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.939 -1.026 0.546 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.289 -3.419 3.709 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.054 -0.800 1.821 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.405 -3.193 4.984 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.286 -1.881 4.041 1.00 1.00 H new ATOM 584 N PHE X 35 84.012 -5.382 0.834 1.00 1.00 N ATOM 585 CA PHE X 35 84.673 -6.679 1.155 1.00 1.00 C ATOM 586 C PHE X 35 85.150 -7.340 -0.139 1.00 1.00 C ATOM 587 O PHE X 35 86.239 -7.875 -0.209 1.00 1.00 O ATOM 588 CB PHE X 35 83.674 -7.601 1.857 1.00 1.00 C ATOM 589 CG PHE X 35 83.660 -7.294 3.335 1.00 1.00 C ATOM 590 CD1 PHE X 35 83.269 -6.026 3.782 1.00 1.00 C ATOM 591 CD2 PHE X 35 84.038 -8.276 4.259 1.00 1.00 C ATOM 592 CE1 PHE X 35 83.255 -5.739 5.152 1.00 1.00 C ATOM 593 CE2 PHE X 35 84.024 -7.989 5.629 1.00 1.00 C ATOM 594 CZ PHE X 35 83.633 -6.721 6.076 1.00 1.00 C ATOM 0 H PHE X 35 83.028 -5.320 1.095 1.00 1.00 H new ATOM 0 HA PHE X 35 85.526 -6.500 1.810 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.678 -7.463 1.436 1.00 1.00 H new ATOM 0 HB3 PHE X 35 83.948 -8.643 1.694 1.00 1.00 H new ATOM 0 HD1 PHE X 35 82.978 -5.269 3.069 1.00 1.00 H new ATOM 0 HD2 PHE X 35 84.340 -9.254 3.915 1.00 1.00 H new ATOM 0 HE1 PHE X 35 82.953 -4.761 5.496 1.00 1.00 H new ATOM 0 HE2 PHE X 35 84.315 -8.746 6.342 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.623 -6.500 7.133 1.00 1.00 H new ATOM 604 N ASP X 36 84.342 -7.312 -1.164 1.00 1.00 N ATOM 605 CA ASP X 36 84.754 -7.936 -2.452 1.00 1.00 C ATOM 606 C ASP X 36 85.927 -7.152 -3.042 1.00 1.00 C ATOM 607 O ASP X 36 86.809 -7.708 -3.665 1.00 1.00 O ATOM 608 CB ASP X 36 83.579 -7.911 -3.433 1.00 1.00 C ATOM 609 CG ASP X 36 82.682 -9.126 -3.186 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.052 -9.956 -2.372 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.639 -9.205 -3.815 1.00 1.00 O ATOM 0 H ASP X 36 83.416 -6.884 -1.165 1.00 1.00 H new ATOM 0 HA ASP X 36 85.056 -8.968 -2.276 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.007 -6.992 -3.308 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.948 -7.920 -4.459 1.00 1.00 H new ATOM 616 N PHE X 37 85.944 -5.861 -2.849 1.00 1.00 N ATOM 617 CA PHE X 37 87.055 -5.037 -3.402 1.00 1.00 C ATOM 618 C PHE X 37 88.375 -5.454 -2.750 1.00 1.00 C ATOM 619 O PHE X 37 89.374 -5.643 -3.415 1.00 1.00 O ATOM 620 CB PHE X 37 86.788 -3.558 -3.112 1.00 1.00 C ATOM 621 CG PHE X 37 87.837 -2.713 -3.796 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.791 -2.526 -5.183 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.854 -2.114 -3.042 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.762 -1.742 -5.816 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.825 -1.330 -3.675 1.00 1.00 C ATOM 626 CZ PHE X 37 89.780 -1.144 -5.062 1.00 1.00 C ATOM 0 H PHE X 37 85.235 -5.341 -2.331 1.00 1.00 H new ATOM 0 HA PHE X 37 87.118 -5.191 -4.479 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.795 -3.281 -3.466 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.805 -3.378 -2.037 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.006 -2.987 -5.764 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.889 -2.257 -1.972 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.727 -1.598 -6.886 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.609 -0.868 -3.094 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.530 -0.540 -5.550 1.00 1.00 H new ATOM 636 N VAL X 38 88.386 -5.599 -1.453 1.00 1.00 N ATOM 637 CA VAL X 38 89.646 -5.989 -0.759 1.00 1.00 C ATOM 638 C VAL X 38 90.111 -7.354 -1.269 1.00 1.00 C ATOM 639 O VAL X 38 91.249 -7.527 -1.656 1.00 1.00 O ATOM 640 CB VAL X 38 89.393 -6.067 0.748 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.647 -6.590 1.450 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.056 -4.672 1.280 1.00 1.00 C ATOM 0 H VAL X 38 87.578 -5.465 -0.845 1.00 1.00 H new ATOM 0 HA VAL X 38 90.417 -5.245 -0.962 1.00 1.00 H new ATOM 0 HB VAL X 38 88.560 -6.743 0.942 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.467 -6.645 2.524 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.889 -7.583 1.071 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.481 -5.915 1.257 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.875 -4.726 2.354 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.890 -3.997 1.086 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.162 -4.298 0.780 1.00 1.00 H new ATOM 652 N LYS X 39 89.239 -8.326 -1.274 1.00 1.00 N ATOM 653 CA LYS X 39 89.635 -9.678 -1.761 1.00 1.00 C ATOM 654 C LYS X 39 89.939 -9.610 -3.259 1.00 1.00 C ATOM 655 O LYS X 39 90.750 -10.355 -3.773 1.00 1.00 O ATOM 656 CB LYS X 39 88.490 -10.663 -1.517 1.00 1.00 C ATOM 657 CG LYS X 39 88.298 -10.859 -0.012 1.00 1.00 C ATOM 658 CD LYS X 39 87.122 -11.807 0.234 1.00 1.00 C ATOM 659 CE LYS X 39 86.885 -11.948 1.738 1.00 1.00 C ATOM 660 NZ LYS X 39 88.125 -12.454 2.391 1.00 1.00 N ATOM 0 H LYS X 39 88.271 -8.242 -0.962 1.00 1.00 H new ATOM 0 HA LYS X 39 90.523 -10.013 -1.224 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.571 -10.287 -1.966 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.710 -11.618 -1.994 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.206 -11.267 0.431 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.112 -9.899 0.470 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.225 -11.424 -0.252 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.330 -12.783 -0.205 1.00 1.00 H new ATOM 0 HE2 LYS X 39 86.604 -10.985 2.164 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.058 -12.633 1.924 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 87.872 -13.122 3.146 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 88.717 -12.937 1.685 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 88.654 -11.656 2.798 1.00 1.00 H new ATOM 674 N ASP X 40 89.294 -8.722 -3.962 1.00 1.00 N ATOM 675 CA ASP X 40 89.535 -8.608 -5.428 1.00 1.00 C ATOM 676 C ASP X 40 90.840 -7.850 -5.678 1.00 1.00 C ATOM 677 O ASP X 40 91.414 -7.917 -6.748 1.00 1.00 O ATOM 678 CB ASP X 40 88.374 -7.851 -6.077 1.00 1.00 C ATOM 679 CG ASP X 40 87.142 -8.756 -6.133 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.299 -9.949 -5.932 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.063 -8.241 -6.376 1.00 1.00 O ATOM 0 H ASP X 40 88.608 -8.068 -3.584 1.00 1.00 H new ATOM 0 HA ASP X 40 89.608 -9.606 -5.861 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.150 -6.949 -5.507 1.00 1.00 H new ATOM 0 HB3 ASP X 40 88.650 -7.532 -7.082 1.00 1.00 H new ATOM 686 N THR X 41 91.317 -7.126 -4.701 1.00 1.00 N ATOM 687 CA THR X 41 92.523 -6.279 -4.923 1.00 1.00 C ATOM 688 C THR X 41 93.656 -7.144 -5.481 1.00 1.00 C ATOM 689 O THR X 41 94.140 -6.921 -6.573 1.00 1.00 O ATOM 690 CB THR X 41 92.962 -5.657 -3.595 1.00 1.00 C ATOM 691 OG1 THR X 41 91.815 -5.257 -2.859 1.00 1.00 O ATOM 692 CG2 THR X 41 93.847 -4.440 -3.867 1.00 1.00 C ATOM 0 H THR X 41 90.924 -7.085 -3.761 1.00 1.00 H new ATOM 0 HA THR X 41 92.286 -5.487 -5.633 1.00 1.00 H new ATOM 0 HB THR X 41 93.526 -6.391 -3.019 1.00 1.00 H new ATOM 0 HG1 THR X 41 91.046 -5.192 -3.462 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.159 -3.998 -2.921 1.00 1.00 H new ATOM 0 HG22 THR X 41 94.727 -4.749 -4.431 1.00 1.00 H new ATOM 0 HG23 THR X 41 93.287 -3.704 -4.444 1.00 1.00 H new ATOM 700 N CYS X 42 94.083 -8.129 -4.739 1.00 1.00 N ATOM 701 CA CYS X 42 95.234 -8.960 -5.192 1.00 1.00 C ATOM 702 C CYS X 42 94.737 -10.351 -5.588 1.00 1.00 C ATOM 703 O CYS X 42 95.031 -10.843 -6.660 1.00 1.00 O ATOM 704 CB CYS X 42 96.251 -9.085 -4.055 1.00 1.00 C ATOM 705 SG CYS X 42 96.641 -10.833 -3.786 1.00 1.00 S ATOM 0 H CYS X 42 93.684 -8.394 -3.838 1.00 1.00 H new ATOM 0 HA CYS X 42 95.707 -8.486 -6.052 1.00 1.00 H new ATOM 0 HB2 CYS X 42 97.158 -8.532 -4.301 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.848 -8.646 -3.142 1.00 1.00 H new ATOM 0 HG CYS X 42 97.507 -10.941 -2.822 1.00 1.00 H new ATOM 711 N PRO X 43 93.986 -10.976 -4.724 1.00 1.00 N ATOM 712 CA PRO X 43 93.496 -12.368 -4.935 1.00 1.00 C ATOM 713 C PRO X 43 92.790 -12.535 -6.285 1.00 1.00 C ATOM 714 O PRO X 43 92.938 -13.536 -6.955 1.00 1.00 O ATOM 715 CB PRO X 43 92.514 -12.584 -3.784 1.00 1.00 C ATOM 716 CG PRO X 43 92.929 -11.619 -2.721 1.00 1.00 C ATOM 717 CD PRO X 43 93.521 -10.419 -3.444 1.00 1.00 C ATOM 0 HA PRO X 43 94.313 -13.089 -4.950 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.488 -12.400 -4.103 1.00 1.00 H new ATOM 0 HB3 PRO X 43 92.555 -13.611 -3.420 1.00 1.00 H new ATOM 0 HG2 PRO X 43 92.076 -11.323 -2.110 1.00 1.00 H new ATOM 0 HG3 PRO X 43 93.661 -12.070 -2.051 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.778 -9.636 -3.595 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.341 -9.976 -2.879 1.00 1.00 H new ATOM 725 N TRP X 44 92.022 -11.558 -6.687 1.00 1.00 N ATOM 726 CA TRP X 44 91.302 -11.662 -7.988 1.00 1.00 C ATOM 727 C TRP X 44 91.172 -10.271 -8.614 1.00 1.00 C ATOM 728 O TRP X 44 92.001 -9.407 -8.408 1.00 1.00 O ATOM 729 CB TRP X 44 89.908 -12.247 -7.752 1.00 1.00 C ATOM 730 CG TRP X 44 90.038 -13.622 -7.181 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.652 -14.662 -7.791 1.00 1.00 C ATOM 732 CD2 TRP X 44 89.553 -14.124 -5.903 1.00 1.00 C ATOM 733 NE1 TRP X 44 90.574 -15.771 -6.967 1.00 1.00 N ATOM 734 CE2 TRP X 44 89.907 -15.489 -5.791 1.00 1.00 C ATOM 735 CE3 TRP X 44 88.848 -13.532 -4.839 1.00 1.00 C ATOM 736 CZ2 TRP X 44 89.573 -16.241 -4.664 1.00 1.00 C ATOM 737 CZ3 TRP X 44 88.511 -14.286 -3.703 1.00 1.00 C ATOM 738 CH2 TRP X 44 88.873 -15.638 -3.616 1.00 1.00 C ATOM 0 H TRP X 44 91.862 -10.693 -6.171 1.00 1.00 H new ATOM 0 HA TRP X 44 91.861 -12.312 -8.662 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.345 -11.610 -7.070 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.352 -12.281 -8.689 1.00 1.00 H new ATOM 0 HD1 TRP X 44 91.125 -14.632 -8.761 1.00 1.00 H new ATOM 0 HE1 TRP X 44 90.962 -16.685 -7.200 1.00 1.00 H new ATOM 0 HE3 TRP X 44 88.564 -12.492 -4.896 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 89.854 -17.282 -4.602 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 87.970 -13.822 -2.892 1.00 1.00 H new ATOM 0 HH2 TRP X 44 88.611 -16.212 -2.740 1.00 1.00 H new ATOM 749 N PHE X 45 90.137 -10.049 -9.376 1.00 1.00 N ATOM 750 CA PHE X 45 89.946 -8.713 -10.011 1.00 1.00 C ATOM 751 C PHE X 45 88.766 -8.764 -10.987 1.00 1.00 C ATOM 752 O PHE X 45 88.941 -8.689 -12.186 1.00 1.00 O ATOM 753 CB PHE X 45 91.215 -8.324 -10.772 1.00 1.00 C ATOM 754 CG PHE X 45 91.858 -7.130 -10.107 1.00 1.00 C ATOM 755 CD1 PHE X 45 91.130 -5.945 -9.943 1.00 1.00 C ATOM 756 CD2 PHE X 45 93.179 -7.208 -9.651 1.00 1.00 C ATOM 757 CE1 PHE X 45 91.724 -4.838 -9.326 1.00 1.00 C ATOM 758 CE2 PHE X 45 93.773 -6.101 -9.034 1.00 1.00 C ATOM 759 CZ PHE X 45 93.046 -4.916 -8.871 1.00 1.00 C ATOM 0 H PHE X 45 89.413 -10.736 -9.587 1.00 1.00 H new ATOM 0 HA PHE X 45 89.741 -7.975 -9.236 1.00 1.00 H new ATOM 0 HB2 PHE X 45 91.912 -9.162 -10.790 1.00 1.00 H new ATOM 0 HB3 PHE X 45 90.972 -8.089 -11.808 1.00 1.00 H new ATOM 0 HD1 PHE X 45 90.110 -5.885 -10.293 1.00 1.00 H new ATOM 0 HD2 PHE X 45 93.740 -8.122 -9.775 1.00 1.00 H new ATOM 0 HE1 PHE X 45 91.163 -3.924 -9.201 1.00 1.00 H new ATOM 0 HE2 PHE X 45 94.793 -6.161 -8.683 1.00 1.00 H new ATOM 0 HZ PHE X 45 93.505 -4.062 -8.394 1.00 1.00 H new ATOM 769 N PRO X 46 87.574 -8.895 -10.471 1.00 1.00 N ATOM 770 CA PRO X 46 86.337 -8.954 -11.304 1.00 1.00 C ATOM 771 C PRO X 46 85.930 -7.578 -11.842 1.00 1.00 C ATOM 772 O PRO X 46 86.333 -6.555 -11.325 1.00 1.00 O ATOM 773 CB PRO X 46 85.265 -9.492 -10.350 1.00 1.00 C ATOM 774 CG PRO X 46 85.980 -9.821 -9.081 1.00 1.00 C ATOM 775 CD PRO X 46 87.275 -9.002 -9.037 1.00 1.00 C ATOM 0 HA PRO X 46 86.482 -9.578 -12.186 1.00 1.00 H new ATOM 0 HB2 PRO X 46 84.485 -8.750 -10.179 1.00 1.00 H new ATOM 0 HB3 PRO X 46 84.779 -10.375 -10.765 1.00 1.00 H new ATOM 0 HG2 PRO X 46 85.353 -9.589 -8.220 1.00 1.00 H new ATOM 0 HG3 PRO X 46 86.202 -10.887 -9.035 1.00 1.00 H new ATOM 0 HD2 PRO X 46 87.133 -8.028 -8.569 1.00 1.00 H new ATOM 0 HD3 PRO X 46 88.067 -9.508 -8.485 1.00 1.00 H new ATOM 783 N GLN X 47 85.138 -7.545 -12.878 1.00 1.00 N ATOM 784 CA GLN X 47 84.696 -6.237 -13.440 1.00 1.00 C ATOM 785 C GLN X 47 83.993 -5.419 -12.354 1.00 1.00 C ATOM 786 O GLN X 47 83.114 -5.904 -11.670 1.00 1.00 O ATOM 787 CB GLN X 47 83.731 -6.480 -14.602 1.00 1.00 C ATOM 788 CG GLN X 47 84.473 -7.181 -15.741 1.00 1.00 C ATOM 789 CD GLN X 47 83.515 -7.401 -16.913 1.00 1.00 C ATOM 790 OE1 GLN X 47 82.395 -6.931 -16.894 1.00 1.00 O ATOM 791 NE2 GLN X 47 83.911 -8.101 -17.941 1.00 1.00 N ATOM 0 H GLN X 47 84.777 -8.368 -13.360 1.00 1.00 H new ATOM 0 HA GLN X 47 85.566 -5.687 -13.798 1.00 1.00 H new ATOM 0 HB2 GLN X 47 82.891 -7.091 -14.270 1.00 1.00 H new ATOM 0 HB3 GLN X 47 83.318 -5.533 -14.951 1.00 1.00 H new ATOM 0 HG2 GLN X 47 85.323 -6.579 -16.060 1.00 1.00 H new ATOM 0 HG3 GLN X 47 84.870 -8.136 -15.397 1.00 1.00 H new ATOM 0 HE21 GLN X 47 84.851 -8.496 -17.957 1.00 1.00 H new ATOM 0 HE22 GLN X 47 83.280 -8.253 -18.728 1.00 1.00 H new ATOM 800 N GLU X 48 84.376 -4.183 -12.185 1.00 1.00 N ATOM 801 CA GLU X 48 83.736 -3.338 -11.136 1.00 1.00 C ATOM 802 C GLU X 48 82.430 -2.747 -11.673 1.00 1.00 C ATOM 803 O GLU X 48 82.046 -2.986 -12.800 1.00 1.00 O ATOM 804 CB GLU X 48 84.684 -2.204 -10.745 1.00 1.00 C ATOM 805 CG GLU X 48 85.927 -2.787 -10.070 1.00 1.00 C ATOM 806 CD GLU X 48 86.943 -1.670 -9.819 1.00 1.00 C ATOM 807 OE1 GLU X 48 86.650 -0.540 -10.170 1.00 1.00 O ATOM 808 OE2 GLU X 48 87.997 -1.965 -9.279 1.00 1.00 O ATOM 0 H GLU X 48 85.105 -3.721 -12.728 1.00 1.00 H new ATOM 0 HA GLU X 48 83.521 -3.952 -10.262 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.971 -1.634 -11.629 1.00 1.00 H new ATOM 0 HB3 GLU X 48 84.181 -1.512 -10.069 1.00 1.00 H new ATOM 0 HG2 GLU X 48 85.653 -3.262 -9.128 1.00 1.00 H new ATOM 0 HG3 GLU X 48 86.368 -3.559 -10.700 1.00 1.00 H new ATOM 815 N GLY X 49 81.742 -1.981 -10.870 1.00 1.00 N ATOM 816 CA GLY X 49 80.460 -1.377 -11.334 1.00 1.00 C ATOM 817 C GLY X 49 80.305 0.027 -10.744 1.00 1.00 C ATOM 818 O GLY X 49 80.786 0.997 -11.295 1.00 1.00 O ATOM 0 H GLY X 49 82.012 -1.748 -9.914 1.00 1.00 H new ATOM 0 HA2 GLY X 49 80.444 -1.328 -12.423 1.00 1.00 H new ATOM 0 HA3 GLY X 49 79.621 -2.004 -11.031 1.00 1.00 H new ATOM 822 N THR X 50 79.642 0.144 -9.627 1.00 1.00 N ATOM 823 CA THR X 50 79.454 1.490 -9.014 1.00 1.00 C ATOM 824 C THR X 50 79.947 1.461 -7.567 1.00 1.00 C ATOM 825 O THR X 50 79.812 0.471 -6.875 1.00 1.00 O ATOM 826 CB THR X 50 77.970 1.864 -9.042 1.00 1.00 C ATOM 827 OG1 THR X 50 77.560 2.068 -10.386 1.00 1.00 O ATOM 828 CG2 THR X 50 77.750 3.147 -8.238 1.00 1.00 C ATOM 0 H THR X 50 79.223 -0.631 -9.113 1.00 1.00 H new ATOM 0 HA THR X 50 80.023 2.229 -9.578 1.00 1.00 H new ATOM 0 HB THR X 50 77.383 1.058 -8.602 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.610 2.306 -10.406 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.693 3.413 -8.259 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.064 2.988 -7.206 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.336 3.955 -8.675 1.00 1.00 H new ATOM 836 N ILE X 51 80.518 2.538 -7.101 1.00 1.00 N ATOM 837 CA ILE X 51 81.010 2.573 -5.696 1.00 1.00 C ATOM 838 C ILE X 51 80.521 3.853 -5.014 1.00 1.00 C ATOM 839 O ILE X 51 80.627 4.937 -5.555 1.00 1.00 O ATOM 840 CB ILE X 51 82.540 2.545 -5.693 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.035 1.827 -4.434 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.078 3.977 -5.706 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.407 2.474 -3.199 1.00 1.00 C ATOM 0 H ILE X 51 80.665 3.395 -7.634 1.00 1.00 H new ATOM 0 HA ILE X 51 80.629 1.707 -5.155 1.00 1.00 H new ATOM 0 HB ILE X 51 82.894 2.016 -6.578 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.772 0.770 -4.478 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.122 1.883 -4.374 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.168 3.956 -5.704 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.727 4.490 -6.601 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.723 4.507 -4.822 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.759 1.964 -2.302 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.692 3.525 -3.154 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.322 2.395 -3.259 1.00 1.00 H new ATOM 855 N ASP X 52 79.986 3.738 -3.829 1.00 1.00 N ATOM 856 CA ASP X 52 79.473 4.944 -3.119 1.00 1.00 C ATOM 857 C ASP X 52 80.639 5.870 -2.763 1.00 1.00 C ATOM 858 O ASP X 52 81.660 5.433 -2.268 1.00 1.00 O ATOM 859 CB ASP X 52 78.756 4.513 -1.838 1.00 1.00 C ATOM 860 CG ASP X 52 77.322 4.095 -2.170 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.938 4.230 -3.320 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.632 3.650 -1.268 1.00 1.00 O ATOM 0 H ASP X 52 79.882 2.860 -3.321 1.00 1.00 H new ATOM 0 HA ASP X 52 78.777 5.475 -3.768 1.00 1.00 H new ATOM 0 HB2 ASP X 52 79.289 3.684 -1.372 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.750 5.332 -1.119 1.00 1.00 H new ATOM 867 N ILE X 53 80.499 7.143 -3.010 1.00 1.00 N ATOM 868 CA ILE X 53 81.603 8.090 -2.682 1.00 1.00 C ATOM 869 C ILE X 53 81.723 8.227 -1.163 1.00 1.00 C ATOM 870 O ILE X 53 82.788 8.485 -0.636 1.00 1.00 O ATOM 871 CB ILE X 53 81.299 9.459 -3.296 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.058 9.302 -4.799 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.486 10.396 -3.067 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.684 10.658 -5.400 1.00 1.00 C ATOM 0 H ILE X 53 79.670 7.569 -3.424 1.00 1.00 H new ATOM 0 HA ILE X 53 82.541 7.710 -3.087 1.00 1.00 H new ATOM 0 HB ILE X 53 80.409 9.878 -2.826 1.00 1.00 H new ATOM 0 HG12 ILE X 53 81.954 8.912 -5.283 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.260 8.581 -4.977 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.270 11.371 -3.504 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.659 10.509 -1.997 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.376 9.977 -3.537 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.512 10.547 -6.471 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.777 11.029 -4.924 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.496 11.366 -5.235 1.00 1.00 H new ATOM 886 N LYS X 54 80.640 8.060 -0.453 1.00 1.00 N ATOM 887 CA LYS X 54 80.695 8.192 1.030 1.00 1.00 C ATOM 888 C LYS X 54 81.680 7.168 1.596 1.00 1.00 C ATOM 889 O LYS X 54 82.489 7.476 2.449 1.00 1.00 O ATOM 890 CB LYS X 54 79.303 7.943 1.617 1.00 1.00 C ATOM 891 CG LYS X 54 78.341 9.027 1.129 1.00 1.00 C ATOM 892 CD LYS X 54 76.939 8.745 1.671 1.00 1.00 C ATOM 893 CE LYS X 54 75.976 9.828 1.182 1.00 1.00 C ATOM 894 NZ LYS X 54 74.618 9.579 1.744 1.00 1.00 N ATOM 0 H LYS X 54 79.721 7.838 -0.836 1.00 1.00 H new ATOM 0 HA LYS X 54 81.025 9.197 1.294 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.941 6.959 1.317 1.00 1.00 H new ATOM 0 HB3 LYS X 54 79.350 7.947 2.706 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.681 10.007 1.463 1.00 1.00 H new ATOM 0 HG3 LYS X 54 78.324 9.049 0.039 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.599 7.764 1.338 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.956 8.724 2.761 1.00 1.00 H new ATOM 0 HE2 LYS X 54 76.333 10.811 1.488 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.936 9.828 0.093 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 73.906 9.694 0.995 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 74.571 8.611 2.121 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 74.429 10.258 2.509 1.00 1.00 H new ATOM 908 N PHE X 55 81.620 5.952 1.127 1.00 1.00 N ATOM 909 CA PHE X 55 82.536 4.902 1.657 1.00 1.00 C ATOM 910 C PHE X 55 83.923 5.081 1.036 1.00 1.00 C ATOM 911 O PHE X 55 84.917 4.651 1.585 1.00 1.00 O ATOM 912 CB PHE X 55 81.987 3.517 1.303 1.00 1.00 C ATOM 913 CG PHE X 55 82.401 2.522 2.359 1.00 1.00 C ATOM 914 CD1 PHE X 55 83.606 1.822 2.227 1.00 1.00 C ATOM 915 CD2 PHE X 55 81.578 2.297 3.469 1.00 1.00 C ATOM 916 CE1 PHE X 55 83.989 0.897 3.208 1.00 1.00 C ATOM 917 CE2 PHE X 55 81.960 1.373 4.449 1.00 1.00 C ATOM 918 CZ PHE X 55 83.166 0.673 4.318 1.00 1.00 C ATOM 0 H PHE X 55 80.976 5.640 0.400 1.00 1.00 H new ATOM 0 HA PHE X 55 82.609 4.993 2.741 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.900 3.554 1.230 1.00 1.00 H new ATOM 0 HB3 PHE X 55 82.362 3.205 0.328 1.00 1.00 H new ATOM 0 HD1 PHE X 55 84.240 1.995 1.370 1.00 1.00 H new ATOM 0 HD2 PHE X 55 80.648 2.837 3.569 1.00 1.00 H new ATOM 0 HE1 PHE X 55 84.919 0.357 3.108 1.00 1.00 H new ATOM 0 HE2 PHE X 55 81.325 1.200 5.305 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.461 -0.040 5.074 1.00 1.00 H new ATOM 928 N TRP X 56 84.001 5.712 -0.104 1.00 1.00 N ATOM 929 CA TRP X 56 85.327 5.896 -0.760 1.00 1.00 C ATOM 930 C TRP X 56 86.287 6.593 0.207 1.00 1.00 C ATOM 931 O TRP X 56 87.461 6.283 0.261 1.00 1.00 O ATOM 932 CB TRP X 56 85.159 6.752 -2.016 1.00 1.00 C ATOM 933 CG TRP X 56 86.505 7.157 -2.525 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.635 6.424 -2.401 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.881 8.371 -3.237 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.681 7.111 -2.990 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.266 8.317 -3.520 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.161 9.503 -3.660 1.00 1.00 C ATOM 939 CZ2 TRP X 56 88.915 9.350 -4.198 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.810 10.544 -4.343 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.184 10.467 -4.611 1.00 1.00 C ATOM 0 H TRP X 56 83.207 6.107 -0.608 1.00 1.00 H new ATOM 0 HA TRP X 56 85.733 4.922 -1.034 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.622 6.192 -2.782 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.563 7.636 -1.790 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.708 5.460 -1.920 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.641 6.769 -3.028 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.102 9.572 -3.458 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 89.974 9.287 -4.402 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.248 11.409 -4.664 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.677 11.271 -5.137 1.00 1.00 H new ATOM 952 N ARG X 57 85.800 7.531 0.971 1.00 1.00 N ATOM 953 CA ARG X 57 86.689 8.245 1.931 1.00 1.00 C ATOM 954 C ARG X 57 87.262 7.245 2.938 1.00 1.00 C ATOM 955 O ARG X 57 88.427 7.292 3.277 1.00 1.00 O ATOM 956 CB ARG X 57 85.885 9.315 2.674 1.00 1.00 C ATOM 957 CG ARG X 57 85.183 10.222 1.661 1.00 1.00 C ATOM 958 CD ARG X 57 86.229 11.027 0.887 1.00 1.00 C ATOM 959 NE ARG X 57 85.581 12.216 0.265 1.00 1.00 N ATOM 960 CZ ARG X 57 86.277 13.017 -0.495 1.00 1.00 C ATOM 961 NH1 ARG X 57 87.541 12.775 -0.715 1.00 1.00 N ATOM 962 NH2 ARG X 57 85.709 14.060 -1.036 1.00 1.00 N ATOM 0 H ARG X 57 84.826 7.834 0.973 1.00 1.00 H new ATOM 0 HA ARG X 57 87.505 8.719 1.386 1.00 1.00 H new ATOM 0 HB2 ARG X 57 85.150 8.844 3.327 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.545 9.905 3.310 1.00 1.00 H new ATOM 0 HG2 ARG X 57 84.587 9.623 0.973 1.00 1.00 H new ATOM 0 HG3 ARG X 57 84.497 10.896 2.174 1.00 1.00 H new ATOM 0 HD2 ARG X 57 87.028 11.344 1.557 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.686 10.405 0.118 1.00 1.00 H new ATOM 0 HE ARG X 57 84.593 12.404 0.433 1.00 1.00 H new ATOM 0 HH11 ARG X 57 87.985 11.960 -0.293 1.00 1.00 H new ATOM 0 HH12 ARG X 57 88.084 13.401 -1.309 1.00 1.00 H new ATOM 0 HH21 ARG X 57 84.721 14.249 -0.865 1.00 1.00 H new ATOM 0 HH22 ARG X 57 86.253 14.686 -1.630 1.00 1.00 H new ATOM 976 N ARG X 58 86.453 6.340 3.417 1.00 1.00 N ATOM 977 CA ARG X 58 86.957 5.336 4.395 1.00 1.00 C ATOM 978 C ARG X 58 87.953 4.405 3.701 1.00 1.00 C ATOM 979 O ARG X 58 88.939 3.994 4.279 1.00 1.00 O ATOM 980 CB ARG X 58 85.783 4.517 4.933 1.00 1.00 C ATOM 981 CG ARG X 58 84.890 5.410 5.797 1.00 1.00 C ATOM 982 CD ARG X 58 83.650 4.626 6.232 1.00 1.00 C ATOM 983 NE ARG X 58 84.065 3.473 7.081 1.00 1.00 N ATOM 984 CZ ARG X 58 84.312 3.652 8.350 1.00 1.00 C ATOM 985 NH1 ARG X 58 84.197 4.841 8.875 1.00 1.00 N ATOM 986 NH2 ARG X 58 84.675 2.643 9.093 1.00 1.00 N ATOM 0 H ARG X 58 85.466 6.253 3.174 1.00 1.00 H new ATOM 0 HA ARG X 58 87.452 5.848 5.220 1.00 1.00 H new ATOM 0 HB2 ARG X 58 85.208 4.100 4.106 1.00 1.00 H new ATOM 0 HB3 ARG X 58 86.152 3.676 5.521 1.00 1.00 H new ATOM 0 HG2 ARG X 58 85.441 5.755 6.672 1.00 1.00 H new ATOM 0 HG3 ARG X 58 84.594 6.297 5.237 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.972 5.275 6.787 1.00 1.00 H new ATOM 0 HD3 ARG X 58 83.106 4.270 5.357 1.00 1.00 H new ATOM 0 HE ARG X 58 84.156 2.544 6.670 1.00 1.00 H new ATOM 0 HH11 ARG X 58 83.914 5.630 8.294 1.00 1.00 H new ATOM 0 HH12 ARG X 58 84.390 4.981 9.867 1.00 1.00 H new ATOM 0 HH21 ARG X 58 84.766 1.714 8.682 1.00 1.00 H new ATOM 0 HH22 ARG X 58 84.868 2.783 10.085 1.00 1.00 H new ATOM 1000 N VAL X 59 87.703 4.068 2.465 1.00 1.00 N ATOM 1001 CA VAL X 59 88.630 3.157 1.739 1.00 1.00 C ATOM 1002 C VAL X 59 89.989 3.841 1.576 1.00 1.00 C ATOM 1003 O VAL X 59 91.027 3.235 1.756 1.00 1.00 O ATOM 1004 CB VAL X 59 88.053 2.831 0.361 1.00 1.00 C ATOM 1005 CG1 VAL X 59 89.109 2.116 -0.482 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.831 1.924 0.523 1.00 1.00 C ATOM 0 H VAL X 59 86.896 4.385 1.927 1.00 1.00 H new ATOM 0 HA VAL X 59 88.752 2.234 2.306 1.00 1.00 H new ATOM 0 HB VAL X 59 87.759 3.755 -0.136 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.695 1.885 -1.464 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.980 2.761 -0.598 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.406 1.192 0.014 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.418 1.691 -0.459 1.00 1.00 H new ATOM 0 HG22 VAL X 59 87.127 1.001 1.021 1.00 1.00 H new ATOM 0 HG23 VAL X 59 86.076 2.434 1.122 1.00 1.00 H new ATOM 1016 N GLY X 60 89.990 5.101 1.234 1.00 1.00 N ATOM 1017 CA GLY X 60 91.281 5.821 1.045 1.00 1.00 C ATOM 1018 C GLY X 60 92.031 5.887 2.376 1.00 1.00 C ATOM 1019 O GLY X 60 93.215 5.621 2.446 1.00 1.00 O ATOM 0 H GLY X 60 89.153 5.662 1.077 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.889 5.309 0.299 1.00 1.00 H new ATOM 0 HA3 GLY X 60 91.096 6.828 0.670 1.00 1.00 H new ATOM 1023 N ASP X 61 91.353 6.240 3.434 1.00 1.00 N ATOM 1024 CA ASP X 61 92.029 6.320 4.759 1.00 1.00 C ATOM 1025 C ASP X 61 92.448 4.919 5.204 1.00 1.00 C ATOM 1026 O ASP X 61 93.492 4.730 5.797 1.00 1.00 O ATOM 1027 CB ASP X 61 91.065 6.916 5.788 1.00 1.00 C ATOM 1028 CG ASP X 61 91.136 8.443 5.731 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.959 8.950 4.986 1.00 1.00 O ATOM 1030 OD2 ASP X 61 90.367 9.078 6.433 1.00 1.00 O ATOM 0 H ASP X 61 90.361 6.476 3.438 1.00 1.00 H new ATOM 0 HA ASP X 61 92.912 6.954 4.678 1.00 1.00 H new ATOM 0 HB2 ASP X 61 90.048 6.581 5.585 1.00 1.00 H new ATOM 0 HB3 ASP X 61 91.322 6.567 6.788 1.00 1.00 H new ATOM 1035 N CYS X 62 91.643 3.931 4.922 1.00 1.00 N ATOM 1036 CA CYS X 62 91.987 2.546 5.347 1.00 1.00 C ATOM 1037 C CYS X 62 93.144 2.021 4.494 1.00 1.00 C ATOM 1038 O CYS X 62 94.081 1.433 4.996 1.00 1.00 O ATOM 1039 CB CYS X 62 90.768 1.639 5.165 1.00 1.00 C ATOM 1040 SG CYS X 62 89.457 2.156 6.302 1.00 1.00 S ATOM 0 H CYS X 62 90.762 4.024 4.416 1.00 1.00 H new ATOM 0 HA CYS X 62 92.283 2.552 6.396 1.00 1.00 H new ATOM 0 HB2 CYS X 62 90.413 1.691 4.136 1.00 1.00 H new ATOM 0 HB3 CYS X 62 91.042 0.601 5.356 1.00 1.00 H new ATOM 0 HG CYS X 62 88.781 3.131 5.771 1.00 1.00 H new ATOM 1046 N PHE X 63 93.087 2.230 3.206 1.00 1.00 N ATOM 1047 CA PHE X 63 94.174 1.725 2.322 1.00 1.00 C ATOM 1048 C PHE X 63 95.487 2.427 2.676 1.00 1.00 C ATOM 1049 O PHE X 63 96.523 1.803 2.794 1.00 1.00 O ATOM 1050 CB PHE X 63 93.819 2.014 0.861 1.00 1.00 C ATOM 1051 CG PHE X 63 93.048 0.848 0.291 1.00 1.00 C ATOM 1052 CD1 PHE X 63 92.027 0.248 1.040 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.354 0.365 -0.987 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.314 -0.834 0.510 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.640 -0.717 -1.517 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.620 -1.316 -0.768 1.00 1.00 C ATOM 0 H PHE X 63 92.335 2.728 2.729 1.00 1.00 H new ATOM 0 HA PHE X 63 94.287 0.650 2.463 1.00 1.00 H new ATOM 0 HB2 PHE X 63 93.224 2.925 0.793 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.727 2.182 0.281 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.790 0.620 2.026 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.141 0.827 -1.564 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.528 -1.297 1.087 1.00 1.00 H new ATOM 0 HE2 PHE X 63 92.876 -1.089 -2.503 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.069 -2.150 -1.176 1.00 1.00 H new ATOM 1066 N GLN X 64 95.452 3.720 2.846 1.00 1.00 N ATOM 1067 CA GLN X 64 96.699 4.461 3.185 1.00 1.00 C ATOM 1068 C GLN X 64 97.267 3.928 4.502 1.00 1.00 C ATOM 1069 O GLN X 64 98.465 3.820 4.674 1.00 1.00 O ATOM 1070 CB GLN X 64 96.383 5.951 3.333 1.00 1.00 C ATOM 1071 CG GLN X 64 97.653 6.706 3.731 1.00 1.00 C ATOM 1072 CD GLN X 64 97.380 8.211 3.715 1.00 1.00 C ATOM 1073 OE1 GLN X 64 96.423 8.661 3.117 1.00 1.00 O ATOM 1074 NE2 GLN X 64 98.187 9.016 4.352 1.00 1.00 N ATOM 0 H GLN X 64 94.614 4.295 2.765 1.00 1.00 H new ATOM 0 HA GLN X 64 97.431 4.322 2.390 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.992 6.345 2.395 1.00 1.00 H new ATOM 0 HB3 GLN X 64 95.610 6.096 4.087 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.977 6.395 4.724 1.00 1.00 H new ATOM 0 HG3 GLN X 64 98.463 6.465 3.042 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.991 8.640 4.855 1.00 1.00 H new ATOM 0 HE22 GLN X 64 98.013 10.021 4.347 1.00 1.00 H new ATOM 1083 N ASP X 65 96.417 3.594 5.435 1.00 1.00 N ATOM 1084 CA ASP X 65 96.912 3.062 6.734 1.00 1.00 C ATOM 1085 C ASP X 65 97.649 1.743 6.493 1.00 1.00 C ATOM 1086 O ASP X 65 98.726 1.519 7.007 1.00 1.00 O ATOM 1087 CB ASP X 65 95.728 2.824 7.672 1.00 1.00 C ATOM 1088 CG ASP X 65 95.149 4.168 8.118 1.00 1.00 C ATOM 1089 OD1 ASP X 65 95.752 5.181 7.807 1.00 1.00 O ATOM 1090 OD2 ASP X 65 94.113 4.160 8.763 1.00 1.00 O ATOM 0 H ASP X 65 95.403 3.667 5.353 1.00 1.00 H new ATOM 0 HA ASP X 65 97.593 3.782 7.188 1.00 1.00 H new ATOM 0 HB2 ASP X 65 94.962 2.237 7.166 1.00 1.00 H new ATOM 0 HB3 ASP X 65 96.049 2.249 8.540 1.00 1.00 H new ATOM 1095 N TYR X 66 97.073 0.867 5.714 1.00 1.00 N ATOM 1096 CA TYR X 66 97.734 -0.440 5.445 1.00 1.00 C ATOM 1097 C TYR X 66 99.024 -0.206 4.659 1.00 1.00 C ATOM 1098 O TYR X 66 99.987 -0.935 4.795 1.00 1.00 O ATOM 1099 CB TYR X 66 96.795 -1.330 4.630 1.00 1.00 C ATOM 1100 CG TYR X 66 95.676 -1.827 5.514 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.961 -2.667 6.598 1.00 1.00 C ATOM 1102 CD2 TYR X 66 94.354 -1.450 5.250 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.924 -3.128 7.418 1.00 1.00 C ATOM 1104 CE2 TYR X 66 93.317 -1.911 6.069 1.00 1.00 C ATOM 1105 CZ TYR X 66 93.602 -2.750 7.153 1.00 1.00 C ATOM 1106 OH TYR X 66 92.579 -3.204 7.960 1.00 1.00 O ATOM 0 H TYR X 66 96.173 1.001 5.253 1.00 1.00 H new ATOM 0 HA TYR X 66 97.968 -0.930 6.390 1.00 1.00 H new ATOM 0 HB2 TYR X 66 96.386 -0.771 3.788 1.00 1.00 H new ATOM 0 HB3 TYR X 66 97.346 -2.174 4.215 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.981 -2.959 6.801 1.00 1.00 H new ATOM 0 HD2 TYR X 66 94.134 -0.803 4.414 1.00 1.00 H new ATOM 0 HE1 TYR X 66 95.144 -3.775 8.255 1.00 1.00 H new ATOM 0 HE2 TYR X 66 92.297 -1.620 5.865 1.00 1.00 H new ATOM 0 HH TYR X 66 91.725 -2.847 7.638 1.00 1.00 H new ATOM 1116 N TYR X 67 99.054 0.807 3.836 1.00 1.00 N ATOM 1117 CA TYR X 67 100.277 1.076 3.031 1.00 1.00 C ATOM 1118 C TYR X 67 101.463 1.305 3.970 1.00 1.00 C ATOM 1119 O TYR X 67 102.481 0.650 3.870 1.00 1.00 O ATOM 1120 CB TYR X 67 100.058 2.322 2.172 1.00 1.00 C ATOM 1121 CG TYR X 67 101.395 2.917 1.801 1.00 1.00 C ATOM 1122 CD1 TYR X 67 102.235 2.248 0.902 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.795 4.139 2.356 1.00 1.00 C ATOM 1124 CE1 TYR X 67 103.474 2.800 0.559 1.00 1.00 C ATOM 1125 CE2 TYR X 67 103.034 4.691 2.013 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.874 4.022 1.113 1.00 1.00 C ATOM 1127 OH TYR X 67 105.096 4.567 0.775 1.00 1.00 O ATOM 0 H TYR X 67 98.284 1.459 3.687 1.00 1.00 H new ATOM 0 HA TYR X 67 100.483 0.222 2.385 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.500 2.063 1.272 1.00 1.00 H new ATOM 0 HB3 TYR X 67 99.461 3.053 2.718 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.926 1.306 0.473 1.00 1.00 H new ATOM 0 HD2 TYR X 67 101.147 4.655 3.049 1.00 1.00 H new ATOM 0 HE1 TYR X 67 104.122 2.283 -0.133 1.00 1.00 H new ATOM 0 HE2 TYR X 67 103.343 5.633 2.442 1.00 1.00 H new ATOM 0 HH TYR X 67 105.217 5.417 1.247 1.00 1.00 H new ATOM 1137 N ASN X 68 101.338 2.230 4.882 1.00 1.00 N ATOM 1138 CA ASN X 68 102.463 2.506 5.819 1.00 1.00 C ATOM 1139 C ASN X 68 102.658 1.304 6.744 1.00 1.00 C ATOM 1140 O ASN X 68 103.766 0.963 7.110 1.00 1.00 O ATOM 1141 CB ASN X 68 102.140 3.747 6.656 1.00 1.00 C ATOM 1142 CG ASN X 68 102.275 4.998 5.786 1.00 1.00 C ATOM 1143 OD1 ASN X 68 102.942 4.977 4.770 1.00 1.00 O ATOM 1144 ND2 ASN X 68 101.667 6.095 6.144 1.00 1.00 N ATOM 0 H ASN X 68 100.507 2.805 5.019 1.00 1.00 H new ATOM 0 HA ASN X 68 103.376 2.681 5.250 1.00 1.00 H new ATOM 0 HB2 ASN X 68 101.128 3.676 7.055 1.00 1.00 H new ATOM 0 HB3 ASN X 68 102.816 3.810 7.509 1.00 1.00 H new ATOM 0 HD21 ASN X 68 101.751 6.935 5.571 1.00 1.00 H new ATOM 0 HD22 ASN X 68 101.107 6.113 6.996 1.00 1.00 H new ATOM 1151 N THR X 69 101.591 0.656 7.122 1.00 1.00 N ATOM 1152 CA THR X 69 101.713 -0.499 8.056 1.00 1.00 C ATOM 1153 C THR X 69 102.471 -1.632 7.364 1.00 1.00 C ATOM 1154 O THR X 69 103.343 -2.252 7.941 1.00 1.00 O ATOM 1155 CB THR X 69 100.316 -0.984 8.454 1.00 1.00 C ATOM 1156 OG1 THR X 69 99.518 0.130 8.832 1.00 1.00 O ATOM 1157 CG2 THR X 69 100.427 -1.955 9.630 1.00 1.00 C ATOM 0 H THR X 69 100.640 0.876 6.825 1.00 1.00 H new ATOM 0 HA THR X 69 102.256 -0.191 8.949 1.00 1.00 H new ATOM 0 HB THR X 69 99.854 -1.492 7.608 1.00 1.00 H new ATOM 0 HG1 THR X 69 99.019 0.454 8.053 1.00 1.00 H new ATOM 0 HG21 THR X 69 99.432 -2.300 9.912 1.00 1.00 H new ATOM 0 HG22 THR X 69 101.038 -2.810 9.340 1.00 1.00 H new ATOM 0 HG23 THR X 69 100.890 -1.449 10.477 1.00 1.00 H new ATOM 1165 N PHE X 70 102.147 -1.908 6.129 1.00 1.00 N ATOM 1166 CA PHE X 70 102.829 -3.020 5.412 1.00 1.00 C ATOM 1167 C PHE X 70 103.648 -2.447 4.254 1.00 1.00 C ATOM 1168 O PHE X 70 104.826 -2.714 4.121 1.00 1.00 O ATOM 1169 CB PHE X 70 101.782 -3.992 4.864 1.00 1.00 C ATOM 1170 CG PHE X 70 101.095 -4.692 6.012 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.630 -5.876 6.532 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.922 -4.154 6.557 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.992 -6.524 7.597 1.00 1.00 C ATOM 1174 CE2 PHE X 70 99.285 -4.802 7.621 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.820 -5.988 8.141 1.00 1.00 C ATOM 0 H PHE X 70 101.440 -1.411 5.587 1.00 1.00 H new ATOM 0 HA PHE X 70 103.489 -3.548 6.100 1.00 1.00 H new ATOM 0 HB2 PHE X 70 101.050 -3.453 4.262 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.256 -4.723 4.210 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.535 -6.290 6.112 1.00 1.00 H new ATOM 0 HD2 PHE X 70 99.510 -3.240 6.156 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.405 -7.438 7.998 1.00 1.00 H new ATOM 0 HE2 PHE X 70 98.381 -4.388 8.042 1.00 1.00 H new ATOM 0 HZ PHE X 70 99.328 -6.488 8.962 1.00 1.00 H new ATOM 1185 N GLY X 71 103.032 -1.659 3.416 1.00 1.00 N ATOM 1186 CA GLY X 71 103.766 -1.089 2.251 1.00 1.00 C ATOM 1187 C GLY X 71 102.849 -1.079 1.027 1.00 1.00 C ATOM 1188 O GLY X 71 101.648 -1.226 1.139 1.00 1.00 O ATOM 0 H GLY X 71 102.052 -1.385 3.488 1.00 1.00 H new ATOM 0 HA2 GLY X 71 104.099 -0.076 2.477 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.659 -1.680 2.045 1.00 1.00 H new ATOM 1192 N PRO X 72 103.419 -0.908 -0.134 1.00 1.00 N ATOM 1193 CA PRO X 72 102.654 -0.864 -1.412 1.00 1.00 C ATOM 1194 C PRO X 72 102.157 -2.250 -1.828 1.00 1.00 C ATOM 1195 O PRO X 72 101.296 -2.383 -2.676 1.00 1.00 O ATOM 1196 CB PRO X 72 103.657 -0.321 -2.442 1.00 1.00 C ATOM 1197 CG PRO X 72 105.022 -0.529 -1.861 1.00 1.00 C ATOM 1198 CD PRO X 72 104.854 -0.738 -0.357 1.00 1.00 C ATOM 0 HA PRO X 72 101.761 -0.246 -1.322 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.557 -0.844 -3.393 1.00 1.00 H new ATOM 0 HB3 PRO X 72 103.477 0.736 -2.639 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.505 -1.393 -2.317 1.00 1.00 H new ATOM 0 HG3 PRO X 72 105.659 0.333 -2.060 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.408 -1.614 -0.020 1.00 1.00 H new ATOM 0 HD3 PRO X 72 105.238 0.116 0.201 1.00 1.00 H new ATOM 1206 N GLU X 73 102.688 -3.285 -1.236 1.00 1.00 N ATOM 1207 CA GLU X 73 102.244 -4.659 -1.603 1.00 1.00 C ATOM 1208 C GLU X 73 100.757 -4.810 -1.280 1.00 1.00 C ATOM 1209 O GLU X 73 99.974 -5.244 -2.101 1.00 1.00 O ATOM 1210 CB GLU X 73 103.048 -5.687 -0.803 1.00 1.00 C ATOM 1211 CG GLU X 73 104.521 -5.614 -1.210 1.00 1.00 C ATOM 1212 CD GLU X 73 105.339 -6.573 -0.343 1.00 1.00 C ATOM 1213 OE1 GLU X 73 104.739 -7.292 0.438 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.552 -6.571 -0.476 1.00 1.00 O ATOM 0 H GLU X 73 103.409 -3.238 -0.516 1.00 1.00 H new ATOM 0 HA GLU X 73 102.406 -4.824 -2.668 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.945 -5.493 0.265 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.659 -6.689 -0.984 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.632 -5.875 -2.263 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.891 -4.596 -1.093 1.00 1.00 H new ATOM 1221 N LYS X 74 100.362 -4.456 -0.087 1.00 1.00 N ATOM 1222 CA LYS X 74 98.926 -4.580 0.289 1.00 1.00 C ATOM 1223 C LYS X 74 98.094 -3.617 -0.559 1.00 1.00 C ATOM 1224 O LYS X 74 97.042 -3.964 -1.059 1.00 1.00 O ATOM 1225 CB LYS X 74 98.754 -4.233 1.770 1.00 1.00 C ATOM 1226 CG LYS X 74 99.486 -5.269 2.624 1.00 1.00 C ATOM 1227 CD LYS X 74 98.817 -6.635 2.457 1.00 1.00 C ATOM 1228 CE LYS X 74 99.059 -7.479 3.710 1.00 1.00 C ATOM 1229 NZ LYS X 74 98.443 -8.823 3.529 1.00 1.00 N ATOM 0 H LYS X 74 100.972 -4.087 0.643 1.00 1.00 H new ATOM 0 HA LYS X 74 98.591 -5.603 0.114 1.00 1.00 H new ATOM 0 HB2 LYS X 74 99.149 -3.237 1.969 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.696 -4.214 2.030 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.533 -5.327 2.326 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.468 -4.970 3.672 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.747 -6.510 2.291 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.218 -7.143 1.580 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.129 -7.579 3.893 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.631 -6.985 4.582 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 98.607 -9.398 4.380 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 97.420 -8.718 3.374 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 98.871 -9.293 2.706 1.00 1.00 H new ATOM 1243 N VAL X 75 98.559 -2.410 -0.726 1.00 1.00 N ATOM 1244 CA VAL X 75 97.789 -1.420 -1.531 1.00 1.00 C ATOM 1245 C VAL X 75 98.759 -0.440 -2.195 1.00 1.00 C ATOM 1246 O VAL X 75 99.080 0.596 -1.646 1.00 1.00 O ATOM 1247 CB VAL X 75 96.836 -0.652 -0.615 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.874 -1.633 0.059 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.642 0.088 0.454 1.00 1.00 C ATOM 0 H VAL X 75 99.438 -2.066 -0.340 1.00 1.00 H new ATOM 0 HA VAL X 75 97.216 -1.940 -2.298 1.00 1.00 H new ATOM 0 HB VAL X 75 96.267 0.067 -1.204 1.00 1.00 H new ATOM 0 HG11 VAL X 75 95.194 -1.086 0.712 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.299 -2.160 -0.702 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.442 -2.353 0.648 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.963 0.636 1.107 1.00 1.00 H new ATOM 0 HG22 VAL X 75 98.211 -0.631 1.043 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.327 0.787 -0.026 1.00 1.00 H new ATOM 1259 N PRO X 76 99.220 -0.770 -3.371 1.00 1.00 N ATOM 1260 CA PRO X 76 100.185 0.074 -4.126 1.00 1.00 C ATOM 1261 C PRO X 76 99.489 1.207 -4.889 1.00 1.00 C ATOM 1262 O PRO X 76 98.296 1.405 -4.775 1.00 1.00 O ATOM 1263 CB PRO X 76 100.834 -0.910 -5.097 1.00 1.00 C ATOM 1264 CG PRO X 76 99.830 -2.000 -5.287 1.00 1.00 C ATOM 1265 CD PRO X 76 98.868 -1.992 -4.110 1.00 1.00 C ATOM 0 HA PRO X 76 100.898 0.571 -3.468 1.00 1.00 H new ATOM 0 HB2 PRO X 76 101.074 -0.427 -6.044 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.768 -1.302 -4.694 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.286 -1.853 -6.220 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.331 -2.966 -5.359 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.830 -1.972 -4.443 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.987 -2.881 -3.491 1.00 1.00 H new ATOM 1273 N VAL X 77 100.229 1.950 -5.666 1.00 1.00 N ATOM 1274 CA VAL X 77 99.616 3.081 -6.421 1.00 1.00 C ATOM 1275 C VAL X 77 98.568 2.534 -7.393 1.00 1.00 C ATOM 1276 O VAL X 77 97.720 3.256 -7.877 1.00 1.00 O ATOM 1277 CB VAL X 77 100.701 3.821 -7.204 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.531 4.675 -6.244 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.611 2.805 -7.897 1.00 1.00 C ATOM 0 H VAL X 77 101.231 1.823 -5.811 1.00 1.00 H new ATOM 0 HA VAL X 77 99.141 3.770 -5.722 1.00 1.00 H new ATOM 0 HB VAL X 77 100.235 4.463 -7.952 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.304 5.202 -6.802 1.00 1.00 H new ATOM 0 HG12 VAL X 77 100.884 5.399 -5.748 1.00 1.00 H new ATOM 0 HG13 VAL X 77 101.997 4.033 -5.496 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.385 3.331 -8.456 1.00 1.00 H new ATOM 0 HG22 VAL X 77 102.076 2.163 -7.149 1.00 1.00 H new ATOM 0 HG23 VAL X 77 101.021 2.195 -8.581 1.00 1.00 H new ATOM 1289 N THR X 78 98.624 1.263 -7.686 1.00 1.00 N ATOM 1290 CA THR X 78 97.648 0.677 -8.647 1.00 1.00 C ATOM 1291 C THR X 78 96.231 0.827 -8.087 1.00 1.00 C ATOM 1292 O THR X 78 95.275 0.975 -8.821 1.00 1.00 O ATOM 1293 CB THR X 78 97.960 -0.807 -8.852 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.598 -1.532 -7.685 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.455 -0.985 -9.123 1.00 1.00 C ATOM 0 H THR X 78 99.303 0.606 -7.302 1.00 1.00 H new ATOM 0 HA THR X 78 97.720 1.198 -9.602 1.00 1.00 H new ATOM 0 HB THR X 78 97.393 -1.182 -9.704 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.939 -2.448 -7.750 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.675 -2.043 -9.269 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.731 -0.430 -10.020 1.00 1.00 H new ATOM 0 HG23 THR X 78 100.026 -0.609 -8.274 1.00 1.00 H new ATOM 1303 N ALA X 79 96.090 0.789 -6.790 1.00 1.00 N ATOM 1304 CA ALA X 79 94.736 0.928 -6.183 1.00 1.00 C ATOM 1305 C ALA X 79 94.173 2.314 -6.509 1.00 1.00 C ATOM 1306 O ALA X 79 93.006 2.464 -6.812 1.00 1.00 O ATOM 1307 CB ALA X 79 94.837 0.763 -4.666 1.00 1.00 C ATOM 0 H ALA X 79 96.854 0.668 -6.125 1.00 1.00 H new ATOM 0 HA ALA X 79 94.075 0.161 -6.588 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.847 0.865 -4.222 1.00 1.00 H new ATOM 0 HB2 ALA X 79 95.239 -0.223 -4.433 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.497 1.529 -4.260 1.00 1.00 H new ATOM 1313 N PHE X 80 94.995 3.326 -6.449 1.00 1.00 N ATOM 1314 CA PHE X 80 94.509 4.698 -6.762 1.00 1.00 C ATOM 1315 C PHE X 80 94.165 4.789 -8.250 1.00 1.00 C ATOM 1316 O PHE X 80 93.199 5.417 -8.638 1.00 1.00 O ATOM 1317 CB PHE X 80 95.604 5.714 -6.431 1.00 1.00 C ATOM 1318 CG PHE X 80 95.757 5.814 -4.931 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.524 4.869 -4.241 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.129 6.852 -4.232 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.666 4.961 -2.852 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.270 6.945 -2.842 1.00 1.00 C ATOM 1323 CZ PHE X 80 96.039 5.999 -2.152 1.00 1.00 C ATOM 0 H PHE X 80 95.981 3.261 -6.197 1.00 1.00 H new ATOM 0 HA PHE X 80 93.620 4.913 -6.168 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.547 5.410 -6.885 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.350 6.689 -6.848 1.00 1.00 H new ATOM 0 HD1 PHE X 80 97.007 4.068 -4.781 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.536 7.581 -4.765 1.00 1.00 H new ATOM 0 HE1 PHE X 80 97.259 4.232 -2.320 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.786 7.746 -2.302 1.00 1.00 H new ATOM 0 HZ PHE X 80 96.148 6.070 -1.080 1.00 1.00 H new ATOM 1333 N SER X 81 94.949 4.167 -9.087 1.00 1.00 N ATOM 1334 CA SER X 81 94.673 4.223 -10.551 1.00 1.00 C ATOM 1335 C SER X 81 93.303 3.602 -10.833 1.00 1.00 C ATOM 1336 O SER X 81 92.467 4.192 -11.488 1.00 1.00 O ATOM 1337 CB SER X 81 95.753 3.444 -11.303 1.00 1.00 C ATOM 1338 OG SER X 81 95.502 3.526 -12.700 1.00 1.00 O ATOM 0 H SER X 81 95.769 3.622 -8.821 1.00 1.00 H new ATOM 0 HA SER X 81 94.677 5.261 -10.884 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.738 3.851 -11.074 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.756 2.402 -10.983 1.00 1.00 H new ATOM 0 HG SER X 81 96.193 3.029 -13.186 1.00 1.00 H new ATOM 1344 N TYR X 82 93.066 2.417 -10.342 1.00 1.00 N ATOM 1345 CA TYR X 82 91.752 1.757 -10.588 1.00 1.00 C ATOM 1346 C TYR X 82 90.632 2.617 -9.997 1.00 1.00 C ATOM 1347 O TYR X 82 89.608 2.829 -10.614 1.00 1.00 O ATOM 1348 CB TYR X 82 91.742 0.376 -9.929 1.00 1.00 C ATOM 1349 CG TYR X 82 92.424 -0.623 -10.833 1.00 1.00 C ATOM 1350 CD1 TYR X 82 91.836 -0.977 -12.052 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.645 -1.194 -10.453 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.467 -1.902 -12.893 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.277 -2.120 -11.293 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.687 -2.474 -12.513 1.00 1.00 C ATOM 1355 OH TYR X 82 94.309 -3.385 -13.341 1.00 1.00 O ATOM 0 H TYR X 82 93.725 1.877 -9.781 1.00 1.00 H new ATOM 0 HA TYR X 82 91.596 1.646 -11.661 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.252 0.418 -8.967 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.716 0.063 -9.733 1.00 1.00 H new ATOM 0 HD1 TYR X 82 90.894 -0.536 -12.345 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.099 -0.920 -9.512 1.00 1.00 H new ATOM 0 HE1 TYR X 82 92.013 -2.174 -13.834 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.219 -2.561 -11.000 1.00 1.00 H new ATOM 0 HH TYR X 82 95.146 -3.684 -12.928 1.00 1.00 H new ATOM 1365 N TRP X 83 90.817 3.113 -8.805 1.00 1.00 N ATOM 1366 CA TRP X 83 89.757 3.949 -8.173 1.00 1.00 C ATOM 1367 C TRP X 83 89.557 5.222 -8.997 1.00 1.00 C ATOM 1368 O TRP X 83 88.454 5.710 -9.147 1.00 1.00 O ATOM 1369 CB TRP X 83 90.183 4.324 -6.752 1.00 1.00 C ATOM 1370 CG TRP X 83 88.970 4.459 -5.889 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.295 5.611 -5.671 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.277 3.428 -5.127 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.232 5.352 -4.825 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.178 4.022 -4.462 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.492 2.049 -4.951 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.323 3.275 -3.650 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.633 1.295 -4.134 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.551 1.906 -3.486 1.00 1.00 C ATOM 0 H TRP X 83 91.656 2.976 -8.241 1.00 1.00 H new ATOM 0 HA TRP X 83 88.823 3.388 -8.136 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.848 3.561 -6.347 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.741 5.260 -6.763 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.545 6.575 -6.089 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.568 6.059 -4.508 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.322 1.567 -5.447 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.491 3.751 -3.152 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.808 0.237 -4.004 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.894 1.320 -2.861 1.00 1.00 H new ATOM 1389 N ASN X 84 90.616 5.761 -9.536 1.00 1.00 N ATOM 1390 CA ASN X 84 90.489 7.006 -10.344 1.00 1.00 C ATOM 1391 C ASN X 84 89.488 6.773 -11.478 1.00 1.00 C ATOM 1392 O ASN X 84 88.634 7.594 -11.746 1.00 1.00 O ATOM 1393 CB ASN X 84 91.852 7.378 -10.932 1.00 1.00 C ATOM 1394 CG ASN X 84 92.783 7.839 -9.810 1.00 1.00 C ATOM 1395 OD1 ASN X 84 92.332 8.211 -8.744 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.073 7.832 -10.004 1.00 1.00 N ATOM 0 H ASN X 84 91.564 5.393 -9.452 1.00 1.00 H new ATOM 0 HA ASN X 84 90.138 7.819 -9.708 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.284 6.520 -11.448 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.737 8.170 -11.672 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.702 8.138 -9.262 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.453 7.520 -10.898 1.00 1.00 H new ATOM 1403 N LEU X 85 89.589 5.655 -12.145 1.00 1.00 N ATOM 1404 CA LEU X 85 88.628 5.351 -13.244 1.00 1.00 C ATOM 1405 C LEU X 85 87.214 5.237 -12.671 1.00 1.00 C ATOM 1406 O LEU X 85 86.257 5.700 -13.259 1.00 1.00 O ATOM 1407 CB LEU X 85 89.018 4.031 -13.910 1.00 1.00 C ATOM 1408 CG LEU X 85 90.319 4.216 -14.691 1.00 1.00 C ATOM 1409 CD1 LEU X 85 90.815 2.859 -15.191 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.066 5.137 -15.886 1.00 1.00 C ATOM 0 H LEU X 85 90.296 4.939 -11.976 1.00 1.00 H new ATOM 0 HA LEU X 85 88.655 6.153 -13.982 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.142 3.254 -13.156 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.224 3.701 -14.580 1.00 1.00 H new ATOM 0 HG LEU X 85 91.073 4.659 -14.040 1.00 1.00 H new ATOM 0 HD11 LEU X 85 91.743 2.993 -15.748 1.00 1.00 H new ATOM 0 HD12 LEU X 85 90.994 2.201 -14.341 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.063 2.414 -15.842 1.00 1.00 H new ATOM 0 HD21 LEU X 85 90.992 5.271 -16.445 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.312 4.692 -16.535 1.00 1.00 H new ATOM 0 HD23 LEU X 85 89.714 6.105 -15.531 1.00 1.00 H new ATOM 1422 N ILE X 86 87.075 4.625 -11.527 1.00 1.00 N ATOM 1423 CA ILE X 86 85.723 4.488 -10.916 1.00 1.00 C ATOM 1424 C ILE X 86 85.191 5.874 -10.548 1.00 1.00 C ATOM 1425 O ILE X 86 84.036 6.184 -10.764 1.00 1.00 O ATOM 1426 CB ILE X 86 85.818 3.628 -9.655 1.00 1.00 C ATOM 1427 CG1 ILE X 86 85.880 2.150 -10.049 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.586 3.869 -8.779 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.461 1.592 -10.172 1.00 1.00 C ATOM 0 H ILE X 86 87.838 4.214 -10.990 1.00 1.00 H new ATOM 0 HA ILE X 86 85.047 4.014 -11.628 1.00 1.00 H new ATOM 0 HB ILE X 86 86.717 3.895 -9.100 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.409 2.037 -10.995 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.440 1.587 -9.302 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.653 3.256 -7.880 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.539 4.921 -8.498 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.687 3.601 -9.334 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.507 0.540 -10.453 1.00 1.00 H new ATOM 0 HD12 ILE X 86 83.947 1.691 -9.216 1.00 1.00 H new ATOM 0 HD13 ILE X 86 83.916 2.148 -10.935 1.00 1.00 H new ATOM 1441 N LYS X 87 86.025 6.711 -9.993 1.00 1.00 N ATOM 1442 CA LYS X 87 85.564 8.071 -9.598 1.00 1.00 C ATOM 1443 C LYS X 87 84.929 8.765 -10.804 1.00 1.00 C ATOM 1444 O LYS X 87 83.929 9.444 -10.686 1.00 1.00 O ATOM 1445 CB LYS X 87 86.760 8.890 -9.107 1.00 1.00 C ATOM 1446 CG LYS X 87 86.275 10.254 -8.609 1.00 1.00 C ATOM 1447 CD LYS X 87 87.463 11.054 -8.073 1.00 1.00 C ATOM 1448 CE LYS X 87 86.978 12.419 -7.581 1.00 1.00 C ATOM 1449 NZ LYS X 87 88.144 13.226 -7.124 1.00 1.00 N ATOM 0 H LYS X 87 87.006 6.511 -9.796 1.00 1.00 H new ATOM 0 HA LYS X 87 84.827 7.988 -8.799 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.273 8.359 -8.305 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.481 9.021 -9.914 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.793 10.799 -9.421 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.529 10.123 -7.826 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.943 10.511 -7.258 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.211 11.182 -8.855 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.453 12.940 -8.381 1.00 1.00 H new ATOM 0 HE3 LYS X 87 86.268 12.292 -6.764 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 87.812 14.006 -6.521 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 88.793 12.621 -6.582 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.642 13.615 -7.950 1.00 1.00 H new ATOM 1463 N GLU X 88 85.502 8.601 -11.966 1.00 1.00 N ATOM 1464 CA GLU X 88 84.945 9.274 -13.172 1.00 1.00 C ATOM 1465 C GLU X 88 83.620 8.614 -13.556 1.00 1.00 C ATOM 1466 O GLU X 88 82.678 9.272 -13.951 1.00 1.00 O ATOM 1467 CB GLU X 88 85.935 9.147 -14.332 1.00 1.00 C ATOM 1468 CG GLU X 88 87.193 9.961 -14.023 1.00 1.00 C ATOM 1469 CD GLU X 88 88.213 9.770 -15.147 1.00 1.00 C ATOM 1470 OE1 GLU X 88 87.860 9.162 -16.144 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.331 10.234 -14.991 1.00 1.00 O ATOM 0 H GLU X 88 86.331 8.030 -12.131 1.00 1.00 H new ATOM 0 HA GLU X 88 84.776 10.329 -12.955 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.196 8.100 -14.488 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.477 9.502 -15.255 1.00 1.00 H new ATOM 0 HG2 GLU X 88 86.940 11.017 -13.922 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.620 9.643 -13.072 1.00 1.00 H new ATOM 1478 N LEU X 89 83.539 7.316 -13.443 1.00 1.00 N ATOM 1479 CA LEU X 89 82.287 6.611 -13.833 1.00 1.00 C ATOM 1480 C LEU X 89 81.149 7.049 -12.908 1.00 1.00 C ATOM 1481 O LEU X 89 80.048 7.315 -13.345 1.00 1.00 O ATOM 1482 CB LEU X 89 82.492 5.099 -13.709 1.00 1.00 C ATOM 1483 CG LEU X 89 82.893 4.526 -15.069 1.00 1.00 C ATOM 1484 CD1 LEU X 89 81.701 4.591 -16.025 1.00 1.00 C ATOM 1485 CD2 LEU X 89 84.052 5.343 -15.646 1.00 1.00 C ATOM 0 H LEU X 89 84.286 6.714 -13.097 1.00 1.00 H new ATOM 0 HA LEU X 89 82.035 6.859 -14.864 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.264 4.885 -12.970 1.00 1.00 H new ATOM 0 HB3 LEU X 89 81.576 4.624 -13.358 1.00 1.00 H new ATOM 0 HG LEU X 89 83.203 3.488 -14.946 1.00 1.00 H new ATOM 0 HD11 LEU X 89 81.989 4.182 -16.994 1.00 1.00 H new ATOM 0 HD12 LEU X 89 80.875 4.009 -15.616 1.00 1.00 H new ATOM 0 HD13 LEU X 89 81.389 5.628 -16.147 1.00 1.00 H new ATOM 0 HD21 LEU X 89 84.338 4.935 -16.615 1.00 1.00 H new ATOM 0 HD22 LEU X 89 83.741 6.381 -15.767 1.00 1.00 H new ATOM 0 HD23 LEU X 89 84.904 5.296 -14.967 1.00 1.00 H new ATOM 1497 N ILE X 90 81.408 7.124 -11.631 1.00 1.00 N ATOM 1498 CA ILE X 90 80.338 7.529 -10.678 1.00 1.00 C ATOM 1499 C ILE X 90 80.120 9.040 -10.767 1.00 1.00 C ATOM 1500 O ILE X 90 79.006 9.522 -10.700 1.00 1.00 O ATOM 1501 CB ILE X 90 80.757 7.156 -9.254 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.031 7.920 -8.882 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.027 5.653 -9.176 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.582 7.381 -7.561 1.00 1.00 C ATOM 0 H ILE X 90 82.314 6.922 -11.207 1.00 1.00 H new ATOM 0 HA ILE X 90 79.411 7.014 -10.931 1.00 1.00 H new ATOM 0 HB ILE X 90 79.957 7.418 -8.561 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.776 7.812 -9.670 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.816 8.985 -8.791 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.325 5.389 -8.161 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.122 5.107 -9.442 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.826 5.390 -9.869 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.489 7.925 -7.296 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.838 7.512 -6.776 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.813 6.321 -7.668 1.00 1.00 H new ATOM 1516 N ASP X 91 81.175 9.794 -10.918 1.00 1.00 N ATOM 1517 CA ASP X 91 81.028 11.273 -11.006 1.00 1.00 C ATOM 1518 C ASP X 91 80.171 11.630 -12.223 1.00 1.00 C ATOM 1519 O ASP X 91 79.282 12.455 -12.147 1.00 1.00 O ATOM 1520 CB ASP X 91 82.409 11.916 -11.147 1.00 1.00 C ATOM 1521 CG ASP X 91 83.030 12.107 -9.762 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.355 11.819 -8.788 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.170 12.536 -9.699 1.00 1.00 O ATOM 0 H ASP X 91 82.132 9.448 -10.984 1.00 1.00 H new ATOM 0 HA ASP X 91 80.546 11.644 -10.102 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.053 11.287 -11.762 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.324 12.877 -11.654 1.00 1.00 H new ATOM 1528 N LYS X 92 80.431 11.015 -13.344 1.00 1.00 N ATOM 1529 CA LYS X 92 79.635 11.322 -14.565 1.00 1.00 C ATOM 1530 C LYS X 92 78.205 10.805 -14.388 1.00 1.00 C ATOM 1531 O LYS X 92 77.248 11.460 -14.750 1.00 1.00 O ATOM 1532 CB LYS X 92 80.278 10.643 -15.776 1.00 1.00 C ATOM 1533 CG LYS X 92 81.598 11.338 -16.113 1.00 1.00 C ATOM 1534 CD LYS X 92 82.219 10.685 -17.349 1.00 1.00 C ATOM 1535 CE LYS X 92 83.533 11.389 -17.692 1.00 1.00 C ATOM 1536 NZ LYS X 92 83.244 12.745 -18.238 1.00 1.00 N ATOM 0 H LYS X 92 81.161 10.313 -13.467 1.00 1.00 H new ATOM 0 HA LYS X 92 79.613 12.400 -14.722 1.00 1.00 H new ATOM 0 HB2 LYS X 92 80.454 9.589 -15.563 1.00 1.00 H new ATOM 0 HB3 LYS X 92 79.603 10.687 -16.631 1.00 1.00 H new ATOM 0 HG2 LYS X 92 81.426 12.399 -16.297 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.284 11.268 -15.269 1.00 1.00 H new ATOM 0 HD2 LYS X 92 82.399 9.626 -17.162 1.00 1.00 H new ATOM 0 HD3 LYS X 92 81.530 10.747 -18.191 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.158 11.469 -16.802 1.00 1.00 H new ATOM 0 HE3 LYS X 92 84.092 10.803 -18.422 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 84.095 13.121 -18.702 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 82.471 12.683 -18.931 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 82.964 13.379 -17.463 1.00 1.00 H new ATOM 1550 N LYS X 93 78.053 9.631 -13.836 1.00 1.00 N ATOM 1551 CA LYS X 93 76.686 9.069 -13.645 1.00 1.00 C ATOM 1552 C LYS X 93 76.100 9.590 -12.330 1.00 1.00 C ATOM 1553 O LYS X 93 76.773 9.656 -11.322 1.00 1.00 O ATOM 1554 CB LYS X 93 76.764 7.542 -13.600 1.00 1.00 C ATOM 1555 CG LYS X 93 75.355 6.962 -13.459 1.00 1.00 C ATOM 1556 CD LYS X 93 75.431 5.435 -13.449 1.00 1.00 C ATOM 1557 CE LYS X 93 74.018 4.854 -13.343 1.00 1.00 C ATOM 1558 NZ LYS X 93 74.086 3.367 -13.412 1.00 1.00 N ATOM 0 H LYS X 93 78.816 9.038 -13.510 1.00 1.00 H new ATOM 0 HA LYS X 93 76.048 9.375 -14.474 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.235 7.165 -14.508 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.385 7.224 -12.763 1.00 1.00 H new ATOM 0 HG2 LYS X 93 74.893 7.320 -12.539 1.00 1.00 H new ATOM 0 HG3 LYS X 93 74.727 7.300 -14.283 1.00 1.00 H new ATOM 0 HD2 LYS X 93 75.915 5.078 -14.358 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.039 5.096 -12.610 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.555 5.164 -12.406 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.394 5.238 -14.150 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 73.127 2.972 -13.340 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 74.511 3.081 -14.317 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 74.667 3.009 -12.627 1.00 1.00 H new ATOM 1572 N GLU X 94 74.847 9.958 -12.333 1.00 1.00 N ATOM 1573 CA GLU X 94 74.216 10.468 -11.083 1.00 1.00 C ATOM 1574 C GLU X 94 74.347 9.417 -9.978 1.00 1.00 C ATOM 1575 O GLU X 94 74.215 8.232 -10.215 1.00 1.00 O ATOM 1576 CB GLU X 94 72.736 10.754 -11.341 1.00 1.00 C ATOM 1577 CG GLU X 94 72.604 11.946 -12.293 1.00 1.00 C ATOM 1578 CD GLU X 94 71.133 12.145 -12.662 1.00 1.00 C ATOM 1579 OE1 GLU X 94 70.307 11.417 -12.136 1.00 1.00 O ATOM 1580 OE2 GLU X 94 70.857 13.022 -13.463 1.00 1.00 O ATOM 0 H GLU X 94 74.234 9.927 -13.147 1.00 1.00 H new ATOM 0 HA GLU X 94 74.716 11.385 -10.772 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.255 9.876 -11.772 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.227 10.968 -10.401 1.00 1.00 H new ATOM 0 HG2 GLU X 94 72.996 12.847 -11.821 1.00 1.00 H new ATOM 0 HG3 GLU X 94 73.195 11.774 -13.192 1.00 1.00 H new ATOM 1587 N VAL X 95 74.606 9.840 -8.771 1.00 1.00 N ATOM 1588 CA VAL X 95 74.747 8.865 -7.652 1.00 1.00 C ATOM 1589 C VAL X 95 74.307 9.521 -6.342 1.00 1.00 C ATOM 1590 O VAL X 95 73.428 10.360 -6.323 1.00 1.00 O ATOM 1591 CB VAL X 95 76.210 8.432 -7.538 1.00 1.00 C ATOM 1592 CG1 VAL X 95 77.044 9.592 -6.993 1.00 1.00 C ATOM 1593 CG2 VAL X 95 76.312 7.238 -6.586 1.00 1.00 C ATOM 0 H VAL X 95 74.726 10.819 -8.511 1.00 1.00 H new ATOM 0 HA VAL X 95 74.122 7.994 -7.848 1.00 1.00 H new ATOM 0 HB VAL X 95 76.584 8.148 -8.521 1.00 1.00 H new ATOM 0 HG11 VAL X 95 78.086 9.284 -6.912 1.00 1.00 H new ATOM 0 HG12 VAL X 95 76.969 10.443 -7.669 1.00 1.00 H new ATOM 0 HG13 VAL X 95 76.672 9.877 -6.009 1.00 1.00 H new ATOM 0 HG21 VAL X 95 77.353 6.927 -6.503 1.00 1.00 H new ATOM 0 HG22 VAL X 95 75.939 7.524 -5.603 1.00 1.00 H new ATOM 0 HG23 VAL X 95 75.717 6.412 -6.974 1.00 1.00 H new ATOM 1603 N ASN X 96 74.907 9.144 -5.247 1.00 1.00 N ATOM 1604 CA ASN X 96 74.520 9.744 -3.939 1.00 1.00 C ATOM 1605 C ASN X 96 75.774 10.219 -3.201 1.00 1.00 C ATOM 1606 O ASN X 96 76.288 9.542 -2.334 1.00 1.00 O ATOM 1607 CB ASN X 96 73.795 8.696 -3.092 1.00 1.00 C ATOM 1608 CG ASN X 96 73.157 9.373 -1.877 1.00 1.00 C ATOM 1609 OD1 ASN X 96 73.779 10.189 -1.224 1.00 1.00 O ATOM 1610 ND2 ASN X 96 71.933 9.068 -1.543 1.00 1.00 N ATOM 0 H ASN X 96 75.649 8.446 -5.201 1.00 1.00 H new ATOM 0 HA ASN X 96 73.859 10.593 -4.112 1.00 1.00 H new ATOM 0 HB2 ASN X 96 73.030 8.198 -3.687 1.00 1.00 H new ATOM 0 HB3 ASN X 96 74.496 7.928 -2.767 1.00 1.00 H new ATOM 0 HD21 ASN X 96 71.499 9.514 -0.735 1.00 1.00 H new ATOM 0 HD22 ASN X 96 71.411 8.384 -2.090 1.00 1.00 H new ATOM 1617 N PRO X 97 76.258 11.379 -3.550 1.00 1.00 N ATOM 1618 CA PRO X 97 77.473 11.970 -2.920 1.00 1.00 C ATOM 1619 C PRO X 97 77.249 12.324 -1.446 1.00 1.00 C ATOM 1620 O PRO X 97 76.267 11.934 -0.847 1.00 1.00 O ATOM 1621 CB PRO X 97 77.726 13.235 -3.740 1.00 1.00 C ATOM 1622 CG PRO X 97 76.890 13.083 -4.969 1.00 1.00 C ATOM 1623 CD PRO X 97 75.699 12.257 -4.590 1.00 1.00 C ATOM 0 HA PRO X 97 78.311 11.273 -2.923 1.00 1.00 H new ATOM 0 HB2 PRO X 97 77.445 14.128 -3.182 1.00 1.00 H new ATOM 0 HB3 PRO X 97 78.782 13.335 -3.992 1.00 1.00 H new ATOM 0 HG2 PRO X 97 76.579 14.057 -5.347 1.00 1.00 H new ATOM 0 HG3 PRO X 97 77.458 12.599 -5.764 1.00 1.00 H new ATOM 0 HD2 PRO X 97 74.881 12.870 -4.211 1.00 1.00 H new ATOM 0 HD3 PRO X 97 75.308 11.691 -5.436 1.00 1.00 H new ATOM 1631 N GLN X 98 78.153 13.059 -0.858 1.00 1.00 N ATOM 1632 CA GLN X 98 77.994 13.429 0.576 1.00 1.00 C ATOM 1633 C GLN X 98 76.743 14.294 0.744 1.00 1.00 C ATOM 1634 O GLN X 98 76.014 14.171 1.708 1.00 1.00 O ATOM 1635 CB GLN X 98 79.223 14.213 1.042 1.00 1.00 C ATOM 1636 CG GLN X 98 80.406 13.257 1.213 1.00 1.00 C ATOM 1637 CD GLN X 98 81.641 14.044 1.654 1.00 1.00 C ATOM 1638 OE1 GLN X 98 82.052 14.975 0.991 1.00 1.00 O ATOM 1639 NE2 GLN X 98 82.254 13.707 2.757 1.00 1.00 N ATOM 0 H GLN X 98 78.994 13.419 -1.309 1.00 1.00 H new ATOM 0 HA GLN X 98 77.893 12.524 1.175 1.00 1.00 H new ATOM 0 HB2 GLN X 98 79.470 14.987 0.316 1.00 1.00 H new ATOM 0 HB3 GLN X 98 79.010 14.717 1.985 1.00 1.00 H new ATOM 0 HG2 GLN X 98 80.166 12.493 1.953 1.00 1.00 H new ATOM 0 HG3 GLN X 98 80.607 12.740 0.275 1.00 1.00 H new ATOM 0 HE21 GLN X 98 81.909 12.925 3.314 1.00 1.00 H new ATOM 0 HE22 GLN X 98 83.078 14.226 3.062 1.00 1.00 H new ATOM 1648 N VAL X 99 76.488 15.171 -0.189 1.00 1.00 N ATOM 1649 CA VAL X 99 75.282 16.041 -0.088 1.00 1.00 C ATOM 1650 C VAL X 99 74.442 15.900 -1.358 1.00 1.00 C ATOM 1651 O VAL X 99 74.940 16.011 -2.459 1.00 1.00 O ATOM 1652 CB VAL X 99 75.716 17.498 0.077 1.00 1.00 C ATOM 1653 CG1 VAL X 99 74.504 18.416 -0.092 1.00 1.00 C ATOM 1654 CG2 VAL X 99 76.314 17.696 1.472 1.00 1.00 C ATOM 0 H VAL X 99 77.063 15.322 -1.017 1.00 1.00 H new ATOM 0 HA VAL X 99 74.689 15.739 0.775 1.00 1.00 H new ATOM 0 HB VAL X 99 76.463 17.741 -0.678 1.00 1.00 H new ATOM 0 HG11 VAL X 99 74.815 19.454 0.026 1.00 1.00 H new ATOM 0 HG12 VAL X 99 74.077 18.276 -1.085 1.00 1.00 H new ATOM 0 HG13 VAL X 99 73.756 18.173 0.663 1.00 1.00 H new ATOM 0 HG21 VAL X 99 76.624 18.734 1.591 1.00 1.00 H new ATOM 0 HG22 VAL X 99 75.566 17.452 2.226 1.00 1.00 H new ATOM 0 HG23 VAL X 99 77.178 17.043 1.593 1.00 1.00 H new ATOM 1664 N MET X 100 73.167 15.655 -1.213 1.00 1.00 N ATOM 1665 CA MET X 100 72.296 15.513 -2.414 1.00 1.00 C ATOM 1666 C MET X 100 71.775 16.889 -2.831 1.00 1.00 C ATOM 1667 O MET X 100 71.876 17.209 -4.005 1.00 1.00 O ATOM 1668 CB MET X 100 71.115 14.600 -2.080 1.00 1.00 C ATOM 1669 CG MET X 100 71.630 13.192 -1.774 1.00 1.00 C ATOM 1670 SD MET X 100 70.233 12.119 -1.358 1.00 1.00 S ATOM 1671 CE MET X 100 69.470 12.092 -2.998 1.00 1.00 C ATOM 1672 OXT MET X 100 71.284 17.601 -1.972 1.00 1.00 O ATOM 0 H MET X 100 72.693 15.547 -0.317 1.00 1.00 H new ATOM 0 HA MET X 100 72.871 15.080 -3.232 1.00 1.00 H new ATOM 0 HB2 MET X 100 70.568 14.993 -1.223 1.00 1.00 H new ATOM 0 HB3 MET X 100 70.417 14.570 -2.917 1.00 1.00 H new ATOM 0 HG2 MET X 100 72.165 12.793 -2.636 1.00 1.00 H new ATOM 0 HG3 MET X 100 72.338 13.224 -0.946 1.00 1.00 H new ATOM 0 HE1 MET X 100 68.952 11.144 -3.143 1.00 1.00 H new ATOM 0 HE2 MET X 100 68.756 12.912 -3.081 1.00 1.00 H new ATOM 0 HE3 MET X 100 70.241 12.204 -3.760 1.00 1.00 H new TER 1682 MET X 100