USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= 0.379 X(o=0.38,f=-0.001) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0952 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.525 K(o=0.52,f=-5.1!) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= -0.0193 (180deg=-0.0207) USER MOD Single : A 14 GLN : amide:sc= 0.363 K(o=0.36,f=-0.19) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0873 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc=-0.00912 (180deg=-0.16) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.322 K(o=0.32,f=-3.1!) USER MOD Single : A 28 ASN : amide:sc= -0.0994 X(o=-0.099,f=-0.48) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.037) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 40 GLN : amide:sc= 0.405 X(o=0.4,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.131 USER MOD Single : A 69 SER OG : rot 180:sc=8.02e-05 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.465 9.968 22.743 1.00 0.00 N ATOM 2 CA GLY A 1 1.200 9.299 22.448 1.00 0.00 C ATOM 3 C GLY A 1 1.439 7.828 22.214 1.00 0.00 C ATOM 4 O GLY A 1 2.538 7.425 21.832 1.00 0.00 O ATOM 0 H1 GLY A 1 2.474 10.907 22.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.570 10.074 23.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.253 9.400 22.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.504 9.436 23.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.739 9.746 21.567 1.00 0.00 H new ATOM 8 N SER A 2 0.412 7.025 22.478 1.00 0.00 N ATOM 9 CA SER A 2 0.415 5.585 22.323 1.00 0.00 C ATOM 10 C SER A 2 0.113 5.280 20.850 1.00 0.00 C ATOM 11 O SER A 2 0.979 5.541 20.015 1.00 0.00 O ATOM 12 CB SER A 2 -0.569 5.059 23.365 1.00 0.00 C ATOM 13 OG SER A 2 -0.566 3.660 23.518 1.00 0.00 O ATOM 0 H SER A 2 -0.480 7.382 22.820 1.00 0.00 H new ATOM 0 HA SER A 2 1.361 5.079 22.514 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.339 5.517 24.327 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.574 5.380 23.091 1.00 0.00 H new ATOM 0 HG SER A 2 -1.220 3.404 24.202 1.00 0.00 H new ATOM 19 N SER A 3 -1.095 4.835 20.484 1.00 0.00 N ATOM 20 CA SER A 3 -1.557 5.025 19.113 1.00 0.00 C ATOM 21 C SER A 3 -1.586 6.529 18.851 1.00 0.00 C ATOM 22 O SER A 3 -2.209 7.277 19.616 1.00 0.00 O ATOM 23 CB SER A 3 -2.942 4.418 18.888 1.00 0.00 C ATOM 24 OG SER A 3 -2.907 3.002 18.929 1.00 0.00 O ATOM 0 H SER A 3 -1.750 4.355 21.101 1.00 0.00 H new ATOM 0 HA SER A 3 -0.882 4.517 18.424 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.629 4.787 19.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.330 4.745 17.923 1.00 0.00 H new ATOM 0 HG SER A 3 -3.809 2.648 18.783 1.00 0.00 H new ATOM 30 N GLY A 4 -0.887 6.963 17.814 1.00 0.00 N ATOM 31 CA GLY A 4 -0.701 8.344 17.421 1.00 0.00 C ATOM 32 C GLY A 4 0.003 8.343 16.071 1.00 0.00 C ATOM 33 O GLY A 4 0.315 7.277 15.533 1.00 0.00 O ATOM 0 H GLY A 4 -0.406 6.317 17.188 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.661 8.856 17.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.107 8.877 18.163 1.00 0.00 H new ATOM 37 N SER A 5 0.282 9.528 15.533 1.00 0.00 N ATOM 38 CA SER A 5 0.329 9.794 14.101 1.00 0.00 C ATOM 39 C SER A 5 -1.087 9.749 13.508 1.00 0.00 C ATOM 40 O SER A 5 -2.064 9.407 14.187 1.00 0.00 O ATOM 41 CB SER A 5 1.313 8.893 13.327 1.00 0.00 C ATOM 42 OG SER A 5 2.220 9.683 12.583 1.00 0.00 O ATOM 0 H SER A 5 0.487 10.351 16.099 1.00 0.00 H new ATOM 0 HA SER A 5 0.729 10.801 13.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.860 8.258 14.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.762 8.232 12.658 1.00 0.00 H new ATOM 0 HG SER A 5 2.840 9.100 12.098 1.00 0.00 H new ATOM 48 N SER A 6 -1.171 10.092 12.227 1.00 0.00 N ATOM 49 CA SER A 6 -2.369 10.164 11.408 1.00 0.00 C ATOM 50 C SER A 6 -1.983 9.507 10.077 1.00 0.00 C ATOM 51 O SER A 6 -0.814 9.592 9.698 1.00 0.00 O ATOM 52 CB SER A 6 -2.764 11.643 11.228 1.00 0.00 C ATOM 53 OG SER A 6 -2.626 12.392 12.430 1.00 0.00 O ATOM 0 H SER A 6 -0.337 10.346 11.697 1.00 0.00 H new ATOM 0 HA SER A 6 -3.228 9.659 11.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.143 12.090 10.451 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.797 11.701 10.884 1.00 0.00 H new ATOM 0 HG SER A 6 -2.886 13.323 12.267 1.00 0.00 H new ATOM 59 N GLY A 7 -2.914 8.854 9.375 1.00 0.00 N ATOM 60 CA GLY A 7 -2.606 8.150 8.130 1.00 0.00 C ATOM 61 C GLY A 7 -1.507 7.100 8.326 1.00 0.00 C ATOM 62 O GLY A 7 -0.367 7.296 7.903 1.00 0.00 O ATOM 0 H GLY A 7 -3.894 8.799 9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.507 7.667 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.291 8.869 7.374 1.00 0.00 H new ATOM 66 N VAL A 8 -1.841 6.003 9.007 1.00 0.00 N ATOM 67 CA VAL A 8 -0.912 4.939 9.375 1.00 0.00 C ATOM 68 C VAL A 8 -1.641 3.615 9.173 1.00 0.00 C ATOM 69 O VAL A 8 -2.444 3.198 10.016 1.00 0.00 O ATOM 70 CB VAL A 8 -0.370 5.117 10.813 1.00 0.00 C ATOM 71 CG1 VAL A 8 0.738 6.173 10.860 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.448 5.486 11.849 1.00 0.00 C ATOM 0 H VAL A 8 -2.794 5.827 9.326 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.025 4.967 8.742 1.00 0.00 H new ATOM 0 HB VAL A 8 0.023 4.137 11.085 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.099 6.276 11.883 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.561 5.866 10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.344 7.129 10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.987 5.593 12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.919 6.427 11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.202 4.700 11.885 1.00 0.00 H new ATOM 82 N GLU A 9 -1.447 2.987 8.018 1.00 0.00 N ATOM 83 CA GLU A 9 -2.278 1.865 7.603 1.00 0.00 C ATOM 84 C GLU A 9 -1.508 0.871 6.733 1.00 0.00 C ATOM 85 O GLU A 9 -2.130 0.057 6.051 1.00 0.00 O ATOM 86 CB GLU A 9 -3.500 2.440 6.881 1.00 0.00 C ATOM 87 CG GLU A 9 -4.762 1.578 7.004 1.00 0.00 C ATOM 88 CD GLU A 9 -5.842 2.017 5.996 1.00 0.00 C ATOM 89 OE1 GLU A 9 -5.760 3.119 5.400 1.00 0.00 O ATOM 90 OE2 GLU A 9 -6.800 1.250 5.745 1.00 0.00 O ATOM 0 H GLU A 9 -0.718 3.238 7.351 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.597 1.293 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.710 3.432 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.260 2.565 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.508 0.532 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.157 1.650 8.017 1.00 0.00 H new ATOM 97 N ASN A 10 -0.173 0.889 6.779 1.00 0.00 N ATOM 98 CA ASN A 10 0.703 0.014 5.984 1.00 0.00 C ATOM 99 C ASN A 10 0.705 0.412 4.496 1.00 0.00 C ATOM 100 O ASN A 10 0.142 1.441 4.108 1.00 0.00 O ATOM 101 CB ASN A 10 0.311 -1.463 6.195 1.00 0.00 C ATOM 102 CG ASN A 10 1.491 -2.410 6.296 1.00 0.00 C ATOM 103 OD1 ASN A 10 2.367 -2.421 5.438 1.00 0.00 O ATOM 104 ND2 ASN A 10 1.534 -3.203 7.354 1.00 0.00 N ATOM 0 H ASN A 10 0.344 1.527 7.384 1.00 0.00 H new ATOM 0 HA ASN A 10 1.728 0.140 6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.284 -1.543 7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.326 -1.780 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.313 -3.850 7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.788 -3.168 8.049 1.00 0.00 H new ATOM 111 N LEU A 11 1.385 -0.377 3.664 1.00 0.00 N ATOM 112 CA LEU A 11 1.374 -0.282 2.213 1.00 0.00 C ATOM 113 C LEU A 11 -0.037 -0.624 1.704 1.00 0.00 C ATOM 114 O LEU A 11 -0.747 -1.426 2.296 1.00 0.00 O ATOM 115 CB LEU A 11 2.501 -1.197 1.692 1.00 0.00 C ATOM 116 CG LEU A 11 2.445 -1.522 0.200 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.660 -0.295 -0.686 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.523 -2.574 -0.080 1.00 0.00 C ATOM 0 H LEU A 11 1.983 -1.131 4.003 1.00 0.00 H new ATOM 0 HA LEU A 11 1.578 0.721 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.459 -0.724 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.474 -2.132 2.251 1.00 0.00 H new ATOM 0 HG LEU A 11 1.449 -1.894 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.609 -0.590 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.886 0.444 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.639 0.137 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.513 -2.832 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.501 -2.173 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.323 -3.467 0.513 1.00 0.00 H new ATOM 130 N LYS A 12 -0.452 -0.062 0.568 1.00 0.00 N ATOM 131 CA LYS A 12 -1.616 -0.464 -0.217 1.00 0.00 C ATOM 132 C LYS A 12 -1.070 -0.671 -1.628 1.00 0.00 C ATOM 133 O LYS A 12 -0.202 0.088 -2.072 1.00 0.00 O ATOM 134 CB LYS A 12 -2.670 0.654 -0.140 1.00 0.00 C ATOM 135 CG LYS A 12 -3.488 0.611 1.173 1.00 0.00 C ATOM 136 CD LYS A 12 -4.986 0.471 0.862 1.00 0.00 C ATOM 137 CE LYS A 12 -5.962 0.420 2.051 1.00 0.00 C ATOM 138 NZ LYS A 12 -5.959 1.624 2.906 1.00 0.00 N ATOM 0 H LYS A 12 0.042 0.727 0.150 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.107 -1.371 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.175 1.621 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.348 0.568 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.157 -0.226 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.312 1.519 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.276 1.307 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.123 -0.438 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.971 0.266 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.718 -0.446 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.656 1.509 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.013 1.755 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.206 2.457 2.334 1.00 0.00 H new ATOM 152 N ALA A 13 -1.528 -1.707 -2.321 1.00 0.00 N ATOM 153 CA ALA A 13 -1.131 -2.043 -3.685 1.00 0.00 C ATOM 154 C ALA A 13 -2.378 -2.357 -4.504 1.00 0.00 C ATOM 155 O ALA A 13 -3.216 -3.145 -4.061 1.00 0.00 O ATOM 156 CB ALA A 13 -0.196 -3.244 -3.659 1.00 0.00 C ATOM 0 H ALA A 13 -2.210 -2.360 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.608 -1.202 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.101 -3.496 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.690 -3.003 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.709 -4.095 -3.210 1.00 0.00 H new ATOM 162 N GLN A 14 -2.572 -1.710 -5.653 1.00 0.00 N ATOM 163 CA GLN A 14 -3.786 -1.860 -6.429 1.00 0.00 C ATOM 164 C GLN A 14 -3.625 -3.120 -7.280 1.00 0.00 C ATOM 165 O GLN A 14 -2.642 -3.253 -8.019 1.00 0.00 O ATOM 166 CB GLN A 14 -4.027 -0.589 -7.261 1.00 0.00 C ATOM 167 CG GLN A 14 -5.423 -0.617 -7.900 1.00 0.00 C ATOM 168 CD GLN A 14 -5.721 0.613 -8.758 1.00 0.00 C ATOM 169 OE1 GLN A 14 -4.862 1.097 -9.495 1.00 0.00 O ATOM 170 NE2 GLN A 14 -6.927 1.144 -8.701 1.00 0.00 N ATOM 0 H GLN A 14 -1.891 -1.072 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.668 -1.979 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.930 0.292 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.267 -0.507 -8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.515 -1.512 -8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.174 -0.693 -7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.634 0.738 -8.088 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.152 1.960 -9.270 1.00 0.00 H new ATOM 179 N ALA A 15 -4.551 -4.066 -7.131 1.00 0.00 N ATOM 180 CA ALA A 15 -4.630 -5.254 -7.964 1.00 0.00 C ATOM 181 C ALA A 15 -4.823 -4.886 -9.437 1.00 0.00 C ATOM 182 O ALA A 15 -5.545 -3.945 -9.773 1.00 0.00 O ATOM 183 CB ALA A 15 -5.762 -6.134 -7.430 1.00 0.00 C ATOM 0 H ALA A 15 -5.277 -4.023 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.694 -5.811 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.842 -7.034 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.550 -6.413 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.702 -5.583 -7.472 1.00 0.00 H new ATOM 189 N LEU A 16 -4.161 -5.628 -10.326 1.00 0.00 N ATOM 190 CA LEU A 16 -4.125 -5.344 -11.763 1.00 0.00 C ATOM 191 C LEU A 16 -5.121 -6.187 -12.555 1.00 0.00 C ATOM 192 O LEU A 16 -5.329 -5.909 -13.735 1.00 0.00 O ATOM 193 CB LEU A 16 -2.717 -5.592 -12.334 1.00 0.00 C ATOM 194 CG LEU A 16 -1.605 -4.761 -11.675 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.238 -5.264 -12.145 1.00 0.00 C ATOM 196 CD2 LEU A 16 -1.777 -3.264 -11.941 1.00 0.00 C ATOM 0 H LEU A 16 -3.626 -6.456 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.400 -4.294 -11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.476 -6.649 -12.225 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.729 -5.377 -13.402 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.673 -4.890 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.548 -4.673 -11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.120 -6.311 -11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.167 -5.167 -13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.970 -2.713 -11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.749 -3.080 -13.015 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.734 -2.931 -11.540 1.00 0.00 H new ATOM 208 N CYS A 17 -5.707 -7.224 -11.962 1.00 0.00 N ATOM 209 CA CYS A 17 -6.601 -8.173 -12.617 1.00 0.00 C ATOM 210 C CYS A 17 -7.469 -8.863 -11.564 1.00 0.00 C ATOM 211 O CYS A 17 -7.214 -8.730 -10.364 1.00 0.00 O ATOM 212 CB CYS A 17 -5.766 -9.200 -13.399 1.00 0.00 C ATOM 213 SG CYS A 17 -6.484 -9.479 -15.031 1.00 0.00 S ATOM 0 H CYS A 17 -5.566 -7.434 -10.974 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.255 -7.652 -13.316 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.741 -8.843 -13.501 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.723 -10.139 -12.848 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.765 -10.347 -15.679 1.00 0.00 H new ATOM 219 N SER A 18 -8.474 -9.613 -11.996 1.00 0.00 N ATOM 220 CA SER A 18 -9.276 -10.454 -11.125 1.00 0.00 C ATOM 221 C SER A 18 -8.524 -11.738 -10.782 1.00 0.00 C ATOM 222 O SER A 18 -7.828 -12.294 -11.635 1.00 0.00 O ATOM 223 CB SER A 18 -10.634 -10.725 -11.790 1.00 0.00 C ATOM 224 OG SER A 18 -10.531 -10.784 -13.206 1.00 0.00 O ATOM 0 H SER A 18 -8.757 -9.653 -12.975 1.00 0.00 H new ATOM 0 HA SER A 18 -9.464 -9.942 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.039 -11.665 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.338 -9.941 -11.510 1.00 0.00 H new ATOM 0 HG SER A 18 -11.415 -10.960 -13.591 1.00 0.00 H new ATOM 230 N TRP A 19 -8.654 -12.211 -9.541 1.00 0.00 N ATOM 231 CA TRP A 19 -8.106 -13.487 -9.110 1.00 0.00 C ATOM 232 C TRP A 19 -8.926 -14.008 -7.927 1.00 0.00 C ATOM 233 O TRP A 19 -9.256 -13.259 -7.002 1.00 0.00 O ATOM 234 CB TRP A 19 -6.631 -13.310 -8.732 1.00 0.00 C ATOM 235 CG TRP A 19 -5.878 -14.561 -8.430 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.875 -15.677 -9.193 1.00 0.00 C ATOM 237 CD2 TRP A 19 -5.089 -14.875 -7.244 1.00 0.00 C ATOM 238 NE1 TRP A 19 -5.210 -16.678 -8.523 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.735 -16.251 -7.302 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.691 -14.164 -6.092 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -4.077 -16.901 -6.247 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -4.030 -14.809 -5.028 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.732 -16.181 -5.101 1.00 0.00 C ATOM 0 H TRP A 19 -9.149 -11.709 -8.803 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.162 -14.216 -9.918 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.127 -12.794 -9.549 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.576 -12.657 -7.861 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.323 -15.768 -10.172 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.084 -17.623 -8.886 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.897 -13.106 -6.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.839 -17.952 -6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.750 -14.245 -4.150 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.240 -16.675 -4.276 1.00 0.00 H new ATOM 254 N THR A 20 -9.259 -15.294 -7.978 1.00 0.00 N ATOM 255 CA THR A 20 -9.906 -16.046 -6.918 1.00 0.00 C ATOM 256 C THR A 20 -8.866 -16.365 -5.833 1.00 0.00 C ATOM 257 O THR A 20 -7.667 -16.318 -6.110 1.00 0.00 O ATOM 258 CB THR A 20 -10.459 -17.331 -7.566 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.422 -18.028 -8.238 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.524 -17.018 -8.624 1.00 0.00 C ATOM 0 H THR A 20 -9.074 -15.865 -8.803 1.00 0.00 H new ATOM 0 HA THR A 20 -10.717 -15.491 -6.446 1.00 0.00 H new ATOM 0 HB THR A 20 -10.888 -17.924 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.785 -18.843 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.890 -17.948 -9.058 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.353 -16.484 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.087 -16.399 -9.408 1.00 0.00 H new ATOM 268 N ALA A 21 -9.277 -16.767 -4.624 1.00 0.00 N ATOM 269 CA ALA A 21 -8.328 -17.241 -3.618 1.00 0.00 C ATOM 270 C ALA A 21 -7.856 -18.659 -3.938 1.00 0.00 C ATOM 271 O ALA A 21 -6.652 -18.903 -3.927 1.00 0.00 O ATOM 272 CB ALA A 21 -8.943 -17.183 -2.215 1.00 0.00 C ATOM 0 H ALA A 21 -10.252 -16.773 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.462 -16.580 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.217 -17.541 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.217 -16.155 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.832 -17.812 -2.181 1.00 0.00 H new ATOM 278 N LYS A 22 -8.749 -19.597 -4.274 1.00 0.00 N ATOM 279 CA LYS A 22 -8.489 -21.047 -4.376 1.00 0.00 C ATOM 280 C LYS A 22 -8.250 -21.655 -2.996 1.00 0.00 C ATOM 281 O LYS A 22 -9.104 -22.401 -2.517 1.00 0.00 O ATOM 282 CB LYS A 22 -7.357 -21.434 -5.361 1.00 0.00 C ATOM 283 CG LYS A 22 -7.783 -21.298 -6.828 1.00 0.00 C ATOM 284 CD LYS A 22 -6.564 -21.420 -7.756 1.00 0.00 C ATOM 285 CE LYS A 22 -6.841 -20.780 -9.119 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.787 -21.576 -9.919 1.00 0.00 N ATOM 0 H LYS A 22 -9.717 -19.361 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.396 -21.473 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.489 -20.801 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.049 -22.462 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.513 -22.069 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.271 -20.336 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.702 -20.939 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.309 -22.471 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.243 -19.777 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.904 -20.672 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.947 -21.108 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.393 -22.525 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.690 -21.658 -9.409 1.00 0.00 H new ATOM 300 N LYS A 23 -7.089 -21.404 -2.389 1.00 0.00 N ATOM 301 CA LYS A 23 -6.769 -21.870 -1.040 1.00 0.00 C ATOM 302 C LYS A 23 -7.513 -21.018 -0.021 1.00 0.00 C ATOM 303 O LYS A 23 -8.060 -19.972 -0.370 1.00 0.00 O ATOM 304 CB LYS A 23 -5.254 -21.764 -0.804 1.00 0.00 C ATOM 305 CG LYS A 23 -4.451 -22.837 -1.546 1.00 0.00 C ATOM 306 CD LYS A 23 -4.618 -24.246 -0.943 1.00 0.00 C ATOM 307 CE LYS A 23 -3.304 -24.883 -0.469 1.00 0.00 C ATOM 308 NZ LYS A 23 -2.590 -24.058 0.528 1.00 0.00 N ATOM 0 H LYS A 23 -6.339 -20.867 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.075 -22.911 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.912 -20.779 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.053 -21.843 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.762 -22.857 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.395 -22.566 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.307 -24.190 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.077 -24.896 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.516 -25.862 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.655 -25.047 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.907 -24.650 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.085 -23.288 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.274 -23.655 1.199 1.00 0.00 H new ATOM 322 N ASP A 24 -7.481 -21.428 1.249 1.00 0.00 N ATOM 323 CA ASP A 24 -7.942 -20.570 2.339 1.00 0.00 C ATOM 324 C ASP A 24 -6.983 -19.406 2.508 1.00 0.00 C ATOM 325 O ASP A 24 -7.405 -18.258 2.574 1.00 0.00 O ATOM 326 CB ASP A 24 -8.010 -21.303 3.684 1.00 0.00 C ATOM 327 CG ASP A 24 -9.254 -22.152 3.826 1.00 0.00 C ATOM 328 OD1 ASP A 24 -10.366 -21.586 3.756 1.00 0.00 O ATOM 329 OD2 ASP A 24 -9.112 -23.376 4.064 1.00 0.00 O ATOM 0 H ASP A 24 -7.143 -22.343 1.545 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.945 -20.239 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.129 -21.936 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.980 -20.573 4.493 1.00 0.00 H new ATOM 334 N ASN A 25 -5.686 -19.711 2.586 1.00 0.00 N ATOM 335 CA ASN A 25 -4.661 -18.750 2.979 1.00 0.00 C ATOM 336 C ASN A 25 -4.341 -17.725 1.888 1.00 0.00 C ATOM 337 O ASN A 25 -3.383 -16.972 2.051 1.00 0.00 O ATOM 338 CB ASN A 25 -3.385 -19.498 3.423 1.00 0.00 C ATOM 339 CG ASN A 25 -3.305 -19.625 4.935 1.00 0.00 C ATOM 340 OD1 ASN A 25 -3.373 -20.729 5.474 1.00 0.00 O ATOM 341 ND2 ASN A 25 -3.121 -18.525 5.648 1.00 0.00 N ATOM 0 H ASN A 25 -5.318 -20.639 2.376 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.062 -18.179 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.370 -20.491 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.506 -18.968 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.033 -18.584 6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.067 -17.619 5.183 1.00 0.00 H new ATOM 348 N HIS A 26 -5.067 -17.698 0.768 1.00 0.00 N ATOM 349 CA HIS A 26 -4.837 -16.762 -0.325 1.00 0.00 C ATOM 350 C HIS A 26 -5.844 -15.616 -0.249 1.00 0.00 C ATOM 351 O HIS A 26 -6.965 -15.780 0.227 1.00 0.00 O ATOM 352 CB HIS A 26 -4.994 -17.460 -1.671 1.00 0.00 C ATOM 353 CG HIS A 26 -3.945 -18.469 -2.069 1.00 0.00 C ATOM 354 ND1 HIS A 26 -4.038 -19.218 -3.212 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.817 -18.873 -1.402 1.00 0.00 C ATOM 356 CE1 HIS A 26 -3.022 -20.084 -3.241 1.00 0.00 C ATOM 357 NE2 HIS A 26 -2.239 -19.910 -2.156 1.00 0.00 N ATOM 0 H HIS A 26 -5.843 -18.338 0.596 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.822 -16.376 -0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.961 -17.963 -1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.030 -16.692 -2.444 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.763 -19.129 -3.923 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.443 -18.470 -0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.852 -20.815 -4.018 1.00 0.00 H new ATOM 365 N LEU A 27 -5.435 -14.448 -0.737 1.00 0.00 N ATOM 366 CA LEU A 27 -6.292 -13.279 -0.882 1.00 0.00 C ATOM 367 C LEU A 27 -7.078 -13.445 -2.195 1.00 0.00 C ATOM 368 O LEU A 27 -6.575 -14.079 -3.122 1.00 0.00 O ATOM 369 CB LEU A 27 -5.362 -12.046 -0.864 1.00 0.00 C ATOM 370 CG LEU A 27 -5.980 -10.672 -0.561 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.789 -10.176 -1.744 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.793 -10.658 0.738 1.00 0.00 C ATOM 0 H LEU A 27 -4.477 -14.286 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.024 -13.158 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.581 -12.229 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.873 -11.984 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.156 -9.977 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.218 -9.202 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.141 -10.086 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.590 -10.883 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.205 -9.662 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.607 -11.379 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.147 -10.923 1.575 1.00 0.00 H new ATOM 384 N ASN A 28 -8.276 -12.863 -2.313 1.00 0.00 N ATOM 385 CA ASN A 28 -9.027 -12.775 -3.569 1.00 0.00 C ATOM 386 C ASN A 28 -9.339 -11.305 -3.833 1.00 0.00 C ATOM 387 O ASN A 28 -9.721 -10.585 -2.915 1.00 0.00 O ATOM 388 CB ASN A 28 -10.316 -13.615 -3.521 1.00 0.00 C ATOM 389 CG ASN A 28 -11.442 -12.958 -2.733 1.00 0.00 C ATOM 390 OD1 ASN A 28 -12.147 -12.101 -3.258 1.00 0.00 O ATOM 391 ND2 ASN A 28 -11.663 -13.369 -1.502 1.00 0.00 N ATOM 0 H ASN A 28 -8.759 -12.433 -1.524 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.425 -13.182 -4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.657 -13.801 -4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.091 -14.585 -3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.434 -12.974 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.064 -14.082 -1.087 1.00 0.00 H new ATOM 398 N PHE A 29 -9.204 -10.854 -5.077 1.00 0.00 N ATOM 399 CA PHE A 29 -9.496 -9.476 -5.465 1.00 0.00 C ATOM 400 C PHE A 29 -10.031 -9.440 -6.890 1.00 0.00 C ATOM 401 O PHE A 29 -10.050 -10.461 -7.585 1.00 0.00 O ATOM 402 CB PHE A 29 -8.246 -8.583 -5.328 1.00 0.00 C ATOM 403 CG PHE A 29 -6.934 -9.183 -5.839 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.813 -9.684 -7.151 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.834 -9.308 -4.969 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.639 -10.343 -7.553 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.658 -9.963 -5.376 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.558 -10.487 -6.672 1.00 0.00 C ATOM 0 H PHE A 29 -8.887 -11.438 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.258 -9.082 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.429 -7.651 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.120 -8.327 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.627 -9.561 -7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.894 -8.894 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.568 -10.744 -8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.831 -10.062 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.659 -10.996 -6.988 1.00 0.00 H new ATOM 418 N SER A 30 -10.394 -8.248 -7.342 1.00 0.00 N ATOM 419 CA SER A 30 -10.784 -7.959 -8.697 1.00 0.00 C ATOM 420 C SER A 30 -9.892 -6.878 -9.321 1.00 0.00 C ATOM 421 O SER A 30 -9.000 -6.307 -8.687 1.00 0.00 O ATOM 422 CB SER A 30 -12.272 -7.644 -8.718 1.00 0.00 C ATOM 423 OG SER A 30 -12.942 -8.714 -9.368 1.00 0.00 O ATOM 0 H SER A 30 -10.423 -7.425 -6.740 1.00 0.00 H new ATOM 0 HA SER A 30 -10.630 -8.829 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.649 -7.520 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.455 -6.706 -9.243 1.00 0.00 H new ATOM 0 HG SER A 30 -13.905 -8.532 -9.391 1.00 0.00 H new ATOM 429 N LYS A 31 -10.076 -6.643 -10.622 1.00 0.00 N ATOM 430 CA LYS A 31 -9.243 -5.730 -11.394 1.00 0.00 C ATOM 431 C LYS A 31 -9.448 -4.303 -10.905 1.00 0.00 C ATOM 432 O LYS A 31 -10.570 -3.798 -10.970 1.00 0.00 O ATOM 433 CB LYS A 31 -9.560 -5.903 -12.890 1.00 0.00 C ATOM 434 CG LYS A 31 -8.636 -5.040 -13.754 1.00 0.00 C ATOM 435 CD LYS A 31 -8.437 -5.615 -15.160 1.00 0.00 C ATOM 436 CE LYS A 31 -7.358 -4.792 -15.866 1.00 0.00 C ATOM 437 NZ LYS A 31 -6.833 -5.478 -17.063 1.00 0.00 N ATOM 0 H LYS A 31 -10.814 -7.086 -11.170 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.187 -5.960 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.450 -6.951 -13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.598 -5.630 -13.079 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.051 -4.035 -13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.667 -4.947 -13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.140 -6.662 -15.104 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.371 -5.578 -15.721 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.770 -3.825 -16.154 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.540 -4.596 -15.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.105 -4.886 -17.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.416 -6.390 -16.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.608 -5.642 -17.737 1.00 0.00 H new ATOM 451 N HIS A 32 -8.356 -3.668 -10.477 1.00 0.00 N ATOM 452 CA HIS A 32 -8.232 -2.300 -9.999 1.00 0.00 C ATOM 453 C HIS A 32 -8.633 -2.160 -8.525 1.00 0.00 C ATOM 454 O HIS A 32 -8.707 -1.032 -8.030 1.00 0.00 O ATOM 455 CB HIS A 32 -8.937 -1.266 -10.897 1.00 0.00 C ATOM 456 CG HIS A 32 -8.689 -1.391 -12.383 1.00 0.00 C ATOM 457 ND1 HIS A 32 -9.655 -1.314 -13.364 1.00 0.00 N ATOM 458 CD2 HIS A 32 -7.477 -1.532 -13.005 1.00 0.00 C ATOM 459 CE1 HIS A 32 -9.038 -1.395 -14.555 1.00 0.00 C ATOM 460 NE2 HIS A 32 -7.711 -1.536 -14.383 1.00 0.00 N ATOM 0 H HIS A 32 -7.456 -4.147 -10.456 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.170 -2.065 -10.064 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.011 -1.336 -10.722 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.627 -0.270 -10.581 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.517 -1.623 -12.520 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.536 -1.353 -15.513 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.010 -1.628 -15.118 1.00 0.00 H new ATOM 468 N ASP A 33 -8.893 -3.261 -7.822 1.00 0.00 N ATOM 469 CA ASP A 33 -9.236 -3.254 -6.401 1.00 0.00 C ATOM 470 C ASP A 33 -8.022 -2.818 -5.574 1.00 0.00 C ATOM 471 O ASP A 33 -6.882 -2.880 -6.040 1.00 0.00 O ATOM 472 CB ASP A 33 -9.703 -4.647 -5.964 1.00 0.00 C ATOM 473 CG ASP A 33 -11.077 -5.057 -6.512 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.599 -4.468 -7.486 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.606 -6.055 -5.978 1.00 0.00 O ATOM 0 H ASP A 33 -8.871 -4.196 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.048 -2.546 -6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.964 -5.381 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.735 -4.681 -4.875 1.00 0.00 H new ATOM 480 N ILE A 34 -8.242 -2.385 -4.333 1.00 0.00 N ATOM 481 CA ILE A 34 -7.220 -1.824 -3.449 1.00 0.00 C ATOM 482 C ILE A 34 -7.111 -2.751 -2.253 1.00 0.00 C ATOM 483 O ILE A 34 -8.139 -3.029 -1.636 1.00 0.00 O ATOM 484 CB ILE A 34 -7.626 -0.383 -3.056 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.442 0.566 -4.261 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.966 0.162 -1.763 1.00 0.00 C ATOM 487 CD1 ILE A 34 -5.999 0.941 -4.575 1.00 0.00 C ATOM 0 H ILE A 34 -9.166 -2.416 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.244 -1.754 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.683 -0.429 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.879 0.097 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.006 1.480 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.316 1.177 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.235 -0.475 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.883 0.168 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.976 1.609 -5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.558 1.443 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.429 0.039 -4.800 1.00 0.00 H new ATOM 499 N ILE A 35 -5.907 -3.238 -1.936 1.00 0.00 N ATOM 500 CA ILE A 35 -5.712 -4.202 -0.875 1.00 0.00 C ATOM 501 C ILE A 35 -4.642 -3.621 0.034 1.00 0.00 C ATOM 502 O ILE A 35 -3.623 -3.111 -0.446 1.00 0.00 O ATOM 503 CB ILE A 35 -5.333 -5.574 -1.477 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.306 -5.993 -2.610 1.00 0.00 C ATOM 505 CG2 ILE A 35 -5.167 -6.647 -0.378 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.748 -5.784 -4.013 1.00 0.00 C ATOM 0 H ILE A 35 -5.047 -2.968 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.616 -4.381 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.356 -5.476 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.562 -7.045 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.231 -5.425 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.901 -7.599 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.379 -6.343 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.104 -6.757 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.487 -6.100 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.518 -4.729 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.839 -6.373 -4.135 1.00 0.00 H new ATOM 518 N THR A 36 -4.885 -3.720 1.334 1.00 0.00 N ATOM 519 CA THR A 36 -3.957 -3.347 2.378 1.00 0.00 C ATOM 520 C THR A 36 -2.853 -4.386 2.327 1.00 0.00 C ATOM 521 O THR A 36 -3.107 -5.558 2.590 1.00 0.00 O ATOM 522 CB THR A 36 -4.699 -3.359 3.722 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.660 -2.326 3.730 1.00 0.00 O ATOM 524 CG2 THR A 36 -3.764 -3.121 4.899 1.00 0.00 C ATOM 0 H THR A 36 -5.769 -4.076 1.698 1.00 0.00 H new ATOM 0 HA THR A 36 -3.539 -2.348 2.252 1.00 0.00 H new ATOM 0 HB THR A 36 -5.156 -4.343 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.138 -2.330 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.335 -3.139 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.005 -3.903 4.925 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.280 -2.150 4.789 1.00 0.00 H new ATOM 532 N VAL A 37 -1.658 -3.996 1.909 1.00 0.00 N ATOM 533 CA VAL A 37 -0.503 -4.861 1.979 1.00 0.00 C ATOM 534 C VAL A 37 -0.053 -4.903 3.436 1.00 0.00 C ATOM 535 O VAL A 37 -0.179 -3.915 4.153 1.00 0.00 O ATOM 536 CB VAL A 37 0.607 -4.369 1.049 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.806 -5.336 1.077 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.099 -4.291 -0.399 1.00 0.00 C ATOM 0 H VAL A 37 -1.468 -3.075 1.515 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.752 -5.867 1.643 1.00 0.00 H new ATOM 0 HB VAL A 37 0.912 -3.382 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.585 -4.969 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.198 -5.400 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.484 -6.325 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.901 -3.939 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.224 -5.280 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.741 -3.599 -0.453 1.00 0.00 H new ATOM 548 N LEU A 38 0.484 -6.037 3.876 1.00 0.00 N ATOM 549 CA LEU A 38 0.937 -6.231 5.243 1.00 0.00 C ATOM 550 C LEU A 38 2.335 -6.854 5.190 1.00 0.00 C ATOM 551 O LEU A 38 3.341 -6.167 5.391 1.00 0.00 O ATOM 552 CB LEU A 38 -0.108 -7.067 6.020 1.00 0.00 C ATOM 553 CG LEU A 38 -1.521 -6.430 6.101 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.565 -7.490 6.475 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.599 -5.239 7.071 1.00 0.00 C ATOM 0 H LEU A 38 0.617 -6.856 3.283 1.00 0.00 H new ATOM 0 HA LEU A 38 1.023 -5.292 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.193 -8.046 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.260 -7.232 7.033 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.737 -6.035 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.551 -7.027 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.573 -8.275 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.314 -7.921 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.614 -4.842 7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.331 -5.569 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.907 -4.461 6.748 1.00 0.00 H new ATOM 567 N GLU A 39 2.428 -8.133 4.829 1.00 0.00 N ATOM 568 CA GLU A 39 3.676 -8.906 4.890 1.00 0.00 C ATOM 569 C GLU A 39 4.190 -9.125 3.467 1.00 0.00 C ATOM 570 O GLU A 39 3.390 -9.115 2.538 1.00 0.00 O ATOM 571 CB GLU A 39 3.421 -10.257 5.579 1.00 0.00 C ATOM 572 CG GLU A 39 4.672 -10.862 6.218 1.00 0.00 C ATOM 573 CD GLU A 39 5.039 -10.153 7.516 1.00 0.00 C ATOM 574 OE1 GLU A 39 5.794 -9.156 7.447 1.00 0.00 O ATOM 575 OE2 GLU A 39 4.594 -10.608 8.597 1.00 0.00 O ATOM 0 H GLU A 39 1.634 -8.671 4.482 1.00 0.00 H new ATOM 0 HA GLU A 39 4.423 -8.361 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.658 -10.126 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.021 -10.959 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.504 -11.921 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.506 -10.797 5.519 1.00 0.00 H new ATOM 582 N GLN A 40 5.491 -9.344 3.263 1.00 0.00 N ATOM 583 CA GLN A 40 6.086 -9.513 1.938 1.00 0.00 C ATOM 584 C GLN A 40 7.158 -10.606 2.013 1.00 0.00 C ATOM 585 O GLN A 40 8.199 -10.398 2.643 1.00 0.00 O ATOM 586 CB GLN A 40 6.657 -8.176 1.417 1.00 0.00 C ATOM 587 CG GLN A 40 5.628 -7.030 1.352 1.00 0.00 C ATOM 588 CD GLN A 40 6.287 -5.729 0.917 1.00 0.00 C ATOM 589 OE1 GLN A 40 6.964 -5.087 1.715 1.00 0.00 O ATOM 590 NE2 GLN A 40 6.129 -5.317 -0.330 1.00 0.00 N ATOM 0 H GLN A 40 6.168 -9.410 4.023 1.00 0.00 H new ATOM 0 HA GLN A 40 5.322 -9.823 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.483 -7.872 2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.071 -8.334 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.832 -7.290 0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.164 -6.898 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.563 -5.863 -0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.573 -4.453 -0.642 1.00 0.00 H new ATOM 599 N GLN A 41 6.887 -11.766 1.411 1.00 0.00 N ATOM 600 CA GLN A 41 7.858 -12.814 1.112 1.00 0.00 C ATOM 601 C GLN A 41 8.621 -12.457 -0.173 1.00 0.00 C ATOM 602 O GLN A 41 8.460 -11.379 -0.756 1.00 0.00 O ATOM 603 CB GLN A 41 7.137 -14.178 0.928 1.00 0.00 C ATOM 604 CG GLN A 41 6.467 -14.723 2.185 1.00 0.00 C ATOM 605 CD GLN A 41 7.464 -15.274 3.191 1.00 0.00 C ATOM 606 OE1 GLN A 41 8.675 -15.247 3.002 1.00 0.00 O ATOM 607 NE2 GLN A 41 6.966 -15.708 4.333 1.00 0.00 N ATOM 0 H GLN A 41 5.944 -12.008 1.107 1.00 0.00 H new ATOM 0 HA GLN A 41 8.559 -12.894 1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.383 -14.072 0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.862 -14.911 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.885 -13.930 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.766 -15.510 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.956 -15.724 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.591 -16.027 5.073 1.00 0.00 H new ATOM 616 N GLU A 42 9.375 -13.445 -0.657 1.00 0.00 N ATOM 617 CA GLU A 42 10.097 -13.556 -1.917 1.00 0.00 C ATOM 618 C GLU A 42 9.345 -13.022 -3.142 1.00 0.00 C ATOM 619 O GLU A 42 9.980 -12.691 -4.149 1.00 0.00 O ATOM 620 CB GLU A 42 10.419 -15.049 -2.121 1.00 0.00 C ATOM 621 CG GLU A 42 9.223 -15.843 -2.685 1.00 0.00 C ATOM 622 CD GLU A 42 9.474 -17.345 -2.722 1.00 0.00 C ATOM 623 OE1 GLU A 42 9.225 -18.050 -1.713 1.00 0.00 O ATOM 624 OE2 GLU A 42 9.912 -17.846 -3.787 1.00 0.00 O ATOM 0 H GLU A 42 9.507 -14.290 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 42 10.988 -12.932 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.266 -15.144 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.723 -15.485 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.341 -15.642 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.003 -15.491 -3.693 1.00 0.00 H new ATOM 631 N ASN A 43 8.010 -13.042 -3.103 1.00 0.00 N ATOM 632 CA ASN A 43 7.108 -12.558 -4.141 1.00 0.00 C ATOM 633 C ASN A 43 5.673 -12.501 -3.652 1.00 0.00 C ATOM 634 O ASN A 43 4.929 -11.599 -4.022 1.00 0.00 O ATOM 635 CB ASN A 43 7.112 -13.465 -5.383 1.00 0.00 C ATOM 636 CG ASN A 43 7.474 -12.625 -6.586 1.00 0.00 C ATOM 637 OD1 ASN A 43 6.607 -12.157 -7.317 1.00 0.00 O ATOM 638 ND2 ASN A 43 8.754 -12.363 -6.769 1.00 0.00 N ATOM 0 H ASN A 43 7.506 -13.418 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 43 7.473 -11.563 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.829 -14.277 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.133 -13.923 -5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.046 -11.756 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.452 -12.767 -6.144 1.00 0.00 H new ATOM 645 N TRP A 44 5.271 -13.504 -2.878 1.00 0.00 N ATOM 646 CA TRP A 44 3.965 -13.576 -2.260 1.00 0.00 C ATOM 647 C TRP A 44 3.910 -12.515 -1.176 1.00 0.00 C ATOM 648 O TRP A 44 4.823 -12.465 -0.364 1.00 0.00 O ATOM 649 CB TRP A 44 3.786 -14.985 -1.694 1.00 0.00 C ATOM 650 CG TRP A 44 3.593 -16.015 -2.768 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.552 -16.636 -3.495 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.328 -16.498 -3.296 1.00 0.00 C ATOM 653 NE1 TRP A 44 3.958 -17.463 -4.431 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.579 -17.422 -4.349 1.00 0.00 C ATOM 655 CE3 TRP A 44 0.985 -16.228 -2.980 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.531 -18.036 -5.057 1.00 0.00 C ATOM 657 CZ3 TRP A 44 -0.075 -16.845 -3.660 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.198 -17.732 -4.716 1.00 0.00 C ATOM 0 H TRP A 44 5.864 -14.305 -2.662 1.00 0.00 H new ATOM 0 HA TRP A 44 3.157 -13.390 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.659 -15.247 -1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.926 -14.998 -1.024 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.616 -16.506 -3.364 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.475 -18.034 -5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.763 -15.525 -2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.745 -18.733 -5.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.096 -16.640 -3.374 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.615 -18.181 -5.267 1.00 0.00 H new ATOM 669 N TRP A 45 2.892 -11.659 -1.133 1.00 0.00 N ATOM 670 CA TRP A 45 2.683 -10.704 -0.048 1.00 0.00 C ATOM 671 C TRP A 45 1.380 -11.085 0.628 1.00 0.00 C ATOM 672 O TRP A 45 0.502 -11.642 -0.026 1.00 0.00 O ATOM 673 CB TRP A 45 2.658 -9.254 -0.554 1.00 0.00 C ATOM 674 CG TRP A 45 3.840 -8.786 -1.359 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.008 -9.445 -1.530 1.00 0.00 C ATOM 676 CD2 TRP A 45 3.984 -7.548 -2.114 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.839 -8.733 -2.367 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.265 -7.544 -2.742 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.153 -6.434 -2.348 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.696 -6.503 -3.571 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.581 -5.370 -3.162 1.00 0.00 C ATOM 682 CH2 TRP A 45 4.849 -5.405 -3.770 1.00 0.00 C ATOM 0 H TRP A 45 2.179 -11.609 -1.861 1.00 0.00 H new ATOM 0 HA TRP A 45 3.511 -10.748 0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.763 -9.124 -1.162 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.556 -8.597 0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.254 -10.393 -1.076 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.761 -9.048 -2.669 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.173 -6.397 -1.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.664 -6.545 -4.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.932 -4.521 -3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.171 -4.583 -4.392 1.00 0.00 H new ATOM 693 N PHE A 46 1.272 -10.832 1.924 1.00 0.00 N ATOM 694 CA PHE A 46 0.052 -10.998 2.685 1.00 0.00 C ATOM 695 C PHE A 46 -0.624 -9.639 2.705 1.00 0.00 C ATOM 696 O PHE A 46 0.054 -8.606 2.729 1.00 0.00 O ATOM 697 CB PHE A 46 0.404 -11.447 4.103 1.00 0.00 C ATOM 698 CG PHE A 46 -0.742 -11.839 5.011 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.487 -13.001 4.741 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.992 -11.109 6.189 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.482 -13.426 5.638 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.977 -11.542 7.093 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.720 -12.703 6.820 1.00 0.00 C ATOM 0 H PHE A 46 2.054 -10.497 2.486 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.607 -11.749 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.082 -12.297 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.956 -10.640 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.294 -13.568 3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.425 -10.214 6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.064 -14.309 5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.163 -10.982 7.998 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.473 -13.039 7.517 1.00 0.00 H new ATOM 713 N GLY A 47 -1.946 -9.622 2.728 1.00 0.00 N ATOM 714 CA GLY A 47 -2.702 -8.391 2.726 1.00 0.00 C ATOM 715 C GLY A 47 -4.164 -8.673 2.994 1.00 0.00 C ATOM 716 O GLY A 47 -4.539 -9.830 3.185 1.00 0.00 O ATOM 0 H GLY A 47 -2.521 -10.464 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.310 -7.714 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.591 -7.890 1.764 1.00 0.00 H new ATOM 720 N GLU A 48 -4.966 -7.614 3.035 1.00 0.00 N ATOM 721 CA GLU A 48 -6.337 -7.638 3.508 1.00 0.00 C ATOM 722 C GLU A 48 -7.233 -6.753 2.639 1.00 0.00 C ATOM 723 O GLU A 48 -6.942 -5.568 2.441 1.00 0.00 O ATOM 724 CB GLU A 48 -6.324 -7.219 4.992 1.00 0.00 C ATOM 725 CG GLU A 48 -7.697 -7.124 5.675 1.00 0.00 C ATOM 726 CD GLU A 48 -7.578 -7.087 7.207 1.00 0.00 C ATOM 727 OE1 GLU A 48 -6.897 -6.188 7.757 1.00 0.00 O ATOM 728 OE2 GLU A 48 -8.132 -7.967 7.902 1.00 0.00 O ATOM 0 H GLU A 48 -4.666 -6.688 2.729 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.762 -8.639 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.713 -7.932 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.833 -6.249 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.212 -6.228 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.308 -7.977 5.380 1.00 0.00 H new ATOM 735 N VAL A 49 -8.313 -7.329 2.103 1.00 0.00 N ATOM 736 CA VAL A 49 -9.361 -6.592 1.393 1.00 0.00 C ATOM 737 C VAL A 49 -10.714 -7.280 1.609 1.00 0.00 C ATOM 738 O VAL A 49 -10.771 -8.500 1.797 1.00 0.00 O ATOM 739 CB VAL A 49 -8.974 -6.408 -0.093 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.816 -7.719 -0.860 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.883 -5.477 -0.883 1.00 0.00 C ATOM 0 H VAL A 49 -8.486 -8.333 2.151 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.462 -5.585 1.798 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.998 -5.928 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.544 -7.505 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.034 -8.320 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.757 -8.269 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.531 -5.412 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.901 -5.866 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.869 -4.485 -0.432 1.00 0.00 H new ATOM 751 N HIS A 50 -11.796 -6.490 1.572 1.00 0.00 N ATOM 752 CA HIS A 50 -13.174 -6.885 1.873 1.00 0.00 C ATOM 753 C HIS A 50 -13.252 -7.780 3.112 1.00 0.00 C ATOM 754 O HIS A 50 -13.845 -8.860 3.076 1.00 0.00 O ATOM 755 CB HIS A 50 -13.868 -7.513 0.653 1.00 0.00 C ATOM 756 CG HIS A 50 -14.013 -6.582 -0.517 1.00 0.00 C ATOM 757 ND1 HIS A 50 -14.692 -5.385 -0.529 1.00 0.00 N ATOM 758 CD2 HIS A 50 -13.516 -6.796 -1.769 1.00 0.00 C ATOM 759 CE1 HIS A 50 -14.570 -4.864 -1.762 1.00 0.00 C ATOM 760 NE2 HIS A 50 -13.841 -5.679 -2.549 1.00 0.00 N ATOM 0 H HIS A 50 -11.727 -5.505 1.317 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.725 -5.975 2.111 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.302 -8.390 0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.857 -7.862 0.951 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.971 -7.668 -2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.997 -3.923 -2.078 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.578 -5.515 -3.521 1.00 0.00 H new ATOM 768 N GLY A 51 -12.662 -7.322 4.221 1.00 0.00 N ATOM 769 CA GLY A 51 -12.765 -8.014 5.497 1.00 0.00 C ATOM 770 C GLY A 51 -12.216 -9.441 5.443 1.00 0.00 C ATOM 771 O GLY A 51 -12.654 -10.294 6.225 1.00 0.00 O ATOM 0 H GLY A 51 -12.105 -6.468 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.223 -7.450 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.810 -8.043 5.806 1.00 0.00 H new ATOM 775 N GLY A 52 -11.260 -9.725 4.561 1.00 0.00 N ATOM 776 CA GLY A 52 -10.553 -10.985 4.527 1.00 0.00 C ATOM 777 C GLY A 52 -9.093 -10.746 4.194 1.00 0.00 C ATOM 778 O GLY A 52 -8.723 -9.710 3.647 1.00 0.00 O ATOM 0 H GLY A 52 -10.956 -9.069 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.638 -11.486 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.002 -11.644 3.784 1.00 0.00 H new ATOM 782 N ARG A 53 -8.254 -11.710 4.551 1.00 0.00 N ATOM 783 CA ARG A 53 -6.803 -11.678 4.441 1.00 0.00 C ATOM 784 C ARG A 53 -6.321 -12.872 3.639 1.00 0.00 C ATOM 785 O ARG A 53 -7.050 -13.855 3.482 1.00 0.00 O ATOM 786 CB ARG A 53 -6.158 -11.713 5.840 1.00 0.00 C ATOM 787 CG ARG A 53 -5.791 -10.352 6.389 1.00 0.00 C ATOM 788 CD ARG A 53 -5.274 -10.420 7.831 1.00 0.00 C ATOM 789 NE ARG A 53 -6.183 -9.696 8.720 1.00 0.00 N ATOM 790 CZ ARG A 53 -5.890 -9.114 9.880 1.00 0.00 C ATOM 791 NH1 ARG A 53 -4.779 -9.427 10.540 1.00 0.00 N ATOM 792 NH2 ARG A 53 -6.742 -8.212 10.350 1.00 0.00 N ATOM 0 H ARG A 53 -8.590 -12.587 4.949 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.514 -10.756 3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.846 -12.198 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.260 -12.330 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.028 -9.901 5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.664 -9.701 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.192 -11.459 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.274 -9.989 7.889 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.154 -9.630 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.138 -10.122 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.568 -8.972 11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.587 -7.986 9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.552 -7.744 11.236 1.00 0.00 H new ATOM 806 N GLY A 54 -5.071 -12.822 3.199 1.00 0.00 N ATOM 807 CA GLY A 54 -4.422 -13.943 2.563 1.00 0.00 C ATOM 808 C GLY A 54 -3.189 -13.493 1.800 1.00 0.00 C ATOM 809 O GLY A 54 -2.867 -12.306 1.741 1.00 0.00 O ATOM 0 H GLY A 54 -4.481 -11.993 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.140 -14.680 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.118 -14.433 1.882 1.00 0.00 H new ATOM 813 N TRP A 55 -2.487 -14.466 1.231 1.00 0.00 N ATOM 814 CA TRP A 55 -1.283 -14.295 0.442 1.00 0.00 C ATOM 815 C TRP A 55 -1.613 -14.116 -1.037 1.00 0.00 C ATOM 816 O TRP A 55 -2.627 -14.634 -1.512 1.00 0.00 O ATOM 817 CB TRP A 55 -0.404 -15.528 0.646 1.00 0.00 C ATOM 818 CG TRP A 55 0.257 -15.566 1.979 1.00 0.00 C ATOM 819 CD1 TRP A 55 -0.168 -16.220 3.082 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.443 -14.827 2.373 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.682 -15.932 4.133 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.685 -15.065 3.758 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.326 -13.955 1.704 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.743 -14.450 4.447 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.345 -13.313 2.391 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.573 -13.550 3.758 1.00 0.00 C ATOM 0 H TRP A 55 -2.761 -15.445 1.315 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.758 -13.396 0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.013 -16.424 0.525 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.360 -15.554 -0.131 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.033 -16.864 3.134 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.579 -16.315 5.073 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.207 -13.785 0.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 2.916 -14.666 5.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.978 -12.615 1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.377 -13.046 4.273 1.00 0.00 H new ATOM 837 N PHE A 56 -0.739 -13.438 -1.786 1.00 0.00 N ATOM 838 CA PHE A 56 -0.931 -13.246 -3.233 1.00 0.00 C ATOM 839 C PHE A 56 0.405 -12.896 -3.904 1.00 0.00 C ATOM 840 O PHE A 56 1.183 -12.164 -3.292 1.00 0.00 O ATOM 841 CB PHE A 56 -1.979 -12.140 -3.472 1.00 0.00 C ATOM 842 CG PHE A 56 -1.665 -10.811 -2.821 1.00 0.00 C ATOM 843 CD1 PHE A 56 -2.028 -10.587 -1.483 1.00 0.00 C ATOM 844 CD2 PHE A 56 -0.980 -9.813 -3.535 1.00 0.00 C ATOM 845 CE1 PHE A 56 -1.685 -9.380 -0.855 1.00 0.00 C ATOM 846 CE2 PHE A 56 -0.634 -8.606 -2.899 1.00 0.00 C ATOM 847 CZ PHE A 56 -0.973 -8.393 -1.553 1.00 0.00 C ATOM 0 H PHE A 56 0.111 -13.011 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.296 -14.172 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.084 -11.986 -4.546 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.944 -12.489 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.571 -11.344 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.719 -9.972 -4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.971 -9.210 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.106 -7.841 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.688 -7.476 -1.059 1.00 0.00 H new ATOM 857 N PRO A 57 0.728 -13.376 -5.122 1.00 0.00 N ATOM 858 CA PRO A 57 1.971 -13.008 -5.804 1.00 0.00 C ATOM 859 C PRO A 57 1.937 -11.543 -6.242 1.00 0.00 C ATOM 860 O PRO A 57 0.961 -11.115 -6.866 1.00 0.00 O ATOM 861 CB PRO A 57 2.087 -13.912 -7.038 1.00 0.00 C ATOM 862 CG PRO A 57 0.942 -14.916 -6.920 1.00 0.00 C ATOM 863 CD PRO A 57 -0.054 -14.281 -5.949 1.00 0.00 C ATOM 0 HA PRO A 57 2.822 -13.134 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.007 -13.332 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.052 -14.419 -7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.481 -15.102 -7.890 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.298 -15.876 -6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.836 -13.744 -6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.547 -15.040 -5.341 1.00 0.00 H new ATOM 871 N LYS A 58 3.013 -10.781 -6.021 1.00 0.00 N ATOM 872 CA LYS A 58 3.006 -9.352 -6.357 1.00 0.00 C ATOM 873 C LYS A 58 2.978 -9.104 -7.854 1.00 0.00 C ATOM 874 O LYS A 58 2.673 -7.997 -8.295 1.00 0.00 O ATOM 875 CB LYS A 58 4.151 -8.608 -5.655 1.00 0.00 C ATOM 876 CG LYS A 58 5.417 -8.400 -6.497 1.00 0.00 C ATOM 877 CD LYS A 58 6.694 -8.902 -5.828 1.00 0.00 C ATOM 878 CE LYS A 58 7.798 -8.825 -6.870 1.00 0.00 C ATOM 879 NZ LYS A 58 9.159 -9.010 -6.331 1.00 0.00 N ATOM 0 H LYS A 58 3.886 -11.121 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 58 2.073 -8.937 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.785 -7.633 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.421 -9.159 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.294 -8.910 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.526 -7.338 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.940 -8.292 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.568 -9.925 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.616 -9.583 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.746 -7.856 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.851 -8.943 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.356 -8.272 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.231 -9.946 -5.882 1.00 0.00 H new ATOM 893 N SER A 59 3.272 -10.134 -8.644 1.00 0.00 N ATOM 894 CA SER A 59 3.160 -10.123 -10.087 1.00 0.00 C ATOM 895 C SER A 59 1.719 -9.749 -10.501 1.00 0.00 C ATOM 896 O SER A 59 1.482 -9.349 -11.638 1.00 0.00 O ATOM 897 CB SER A 59 3.606 -11.515 -10.556 1.00 0.00 C ATOM 898 OG SER A 59 3.963 -11.643 -11.920 1.00 0.00 O ATOM 0 H SER A 59 3.605 -11.026 -8.278 1.00 0.00 H new ATOM 0 HA SER A 59 3.791 -9.371 -10.561 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.460 -11.820 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.800 -12.218 -10.348 1.00 0.00 H new ATOM 0 HG SER A 59 4.230 -12.568 -12.103 1.00 0.00 H new ATOM 904 N TYR A 60 0.750 -9.831 -9.580 1.00 0.00 N ATOM 905 CA TYR A 60 -0.643 -9.509 -9.824 1.00 0.00 C ATOM 906 C TYR A 60 -0.978 -8.041 -9.495 1.00 0.00 C ATOM 907 O TYR A 60 -2.056 -7.595 -9.872 1.00 0.00 O ATOM 908 CB TYR A 60 -1.536 -10.509 -9.053 1.00 0.00 C ATOM 909 CG TYR A 60 -1.518 -11.924 -9.627 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.319 -12.662 -9.667 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.685 -12.493 -10.174 1.00 0.00 C ATOM 912 CE1 TYR A 60 -0.239 -13.887 -10.343 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.622 -13.730 -10.845 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.386 -14.411 -10.971 1.00 0.00 C ATOM 915 OH TYR A 60 -1.301 -15.597 -11.634 1.00 0.00 O ATOM 0 H TYR A 60 0.929 -10.132 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.844 -9.611 -10.891 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.211 -10.545 -8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.562 -10.140 -9.053 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.557 -12.276 -9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.630 -11.979 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.696 -14.426 -10.382 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.519 -14.161 -11.265 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.176 -15.824 -12.012 1.00 0.00 H new ATOM 925 N VAL A 61 -0.118 -7.257 -8.834 1.00 0.00 N ATOM 926 CA VAL A 61 -0.509 -5.955 -8.268 1.00 0.00 C ATOM 927 C VAL A 61 0.476 -4.843 -8.677 1.00 0.00 C ATOM 928 O VAL A 61 1.483 -5.117 -9.337 1.00 0.00 O ATOM 929 CB VAL A 61 -0.710 -6.085 -6.739 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.507 -7.340 -6.333 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.628 -6.088 -5.969 1.00 0.00 C ATOM 0 H VAL A 61 0.860 -7.501 -8.676 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.468 -5.650 -8.687 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.288 -5.202 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.611 -7.370 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.495 -7.308 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.979 -8.232 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.433 -6.181 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.237 -6.929 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.160 -5.156 -6.161 1.00 0.00 H new ATOM 941 N LYS A 62 0.234 -3.587 -8.286 1.00 0.00 N ATOM 942 CA LYS A 62 1.249 -2.527 -8.274 1.00 0.00 C ATOM 943 C LYS A 62 1.213 -1.837 -6.917 1.00 0.00 C ATOM 944 O LYS A 62 0.127 -1.582 -6.404 1.00 0.00 O ATOM 945 CB LYS A 62 1.049 -1.526 -9.432 1.00 0.00 C ATOM 946 CG LYS A 62 -0.275 -0.729 -9.387 1.00 0.00 C ATOM 947 CD LYS A 62 -0.415 0.300 -10.520 1.00 0.00 C ATOM 948 CE LYS A 62 0.613 1.432 -10.372 1.00 0.00 C ATOM 949 NZ LYS A 62 0.424 2.501 -11.372 1.00 0.00 N ATOM 0 H LYS A 62 -0.682 -3.274 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 62 2.233 -2.969 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.880 -0.821 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.096 -2.071 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.111 -1.427 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.346 -0.214 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.280 -0.194 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.422 0.717 -10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.538 1.858 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.618 1.021 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.142 3.240 -11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.521 2.103 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.524 2.914 -11.264 1.00 0.00 H new ATOM 963 N ILE A 63 2.365 -1.524 -6.327 1.00 0.00 N ATOM 964 CA ILE A 63 2.437 -0.620 -5.182 1.00 0.00 C ATOM 965 C ILE A 63 1.957 0.755 -5.646 1.00 0.00 C ATOM 966 O ILE A 63 2.093 1.105 -6.824 1.00 0.00 O ATOM 967 CB ILE A 63 3.887 -0.627 -4.634 1.00 0.00 C ATOM 968 CG1 ILE A 63 4.075 -1.887 -3.770 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.324 0.674 -3.934 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.252 -1.883 -2.780 1.00 0.00 C ATOM 0 H ILE A 63 3.269 -1.888 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 63 1.795 -0.930 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 63 4.567 -0.666 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.157 -2.051 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.196 -2.741 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.352 0.572 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.260 1.505 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.670 0.867 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.272 -2.827 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.187 -1.760 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.132 -1.060 -2.076 1.00 0.00 H new ATOM 982 N ILE A 64 1.425 1.541 -4.709 1.00 0.00 N ATOM 983 CA ILE A 64 0.882 2.867 -4.957 1.00 0.00 C ATOM 984 C ILE A 64 1.524 3.836 -3.954 1.00 0.00 C ATOM 985 O ILE A 64 1.776 3.448 -2.815 1.00 0.00 O ATOM 986 CB ILE A 64 -0.657 2.905 -4.814 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.352 1.553 -4.997 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.267 3.871 -5.844 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.807 1.651 -4.564 1.00 0.00 C ATOM 0 H ILE A 64 1.361 1.260 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 64 1.110 3.154 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.826 3.231 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.295 1.244 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.840 0.790 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.351 3.887 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.871 4.873 -5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.012 3.538 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.292 0.684 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.855 1.939 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.317 2.400 -5.169 1.00 0.00 H new ATOM 1001 N PRO A 65 1.786 5.089 -4.349 1.00 0.00 N ATOM 1002 CA PRO A 65 2.303 6.155 -3.497 1.00 0.00 C ATOM 1003 C PRO A 65 1.190 6.953 -2.798 1.00 0.00 C ATOM 1004 O PRO A 65 1.468 7.952 -2.139 1.00 0.00 O ATOM 1005 CB PRO A 65 3.131 7.020 -4.448 1.00 0.00 C ATOM 1006 CG PRO A 65 2.390 6.902 -5.781 1.00 0.00 C ATOM 1007 CD PRO A 65 1.778 5.506 -5.734 1.00 0.00 C ATOM 0 HA PRO A 65 2.895 5.765 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.181 8.054 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.157 6.660 -4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.624 7.671 -5.883 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.068 7.013 -6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.762 5.517 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.351 4.812 -6.349 1.00 0.00 H new ATOM 1015 N GLY A 66 -0.074 6.543 -2.933 1.00 0.00 N ATOM 1016 CA GLY A 66 -1.210 7.114 -2.215 1.00 0.00 C ATOM 1017 C GLY A 66 -1.713 6.126 -1.165 1.00 0.00 C ATOM 1018 O GLY A 66 -2.910 5.826 -1.115 1.00 0.00 O ATOM 0 H GLY A 66 -0.339 5.785 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.916 8.048 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.011 7.353 -2.915 1.00 0.00 H new ATOM 1022 N SER A 67 -0.794 5.553 -0.390 1.00 0.00 N ATOM 1023 CA SER A 67 -1.016 4.602 0.690 1.00 0.00 C ATOM 1024 C SER A 67 -1.451 5.342 1.969 1.00 0.00 C ATOM 1025 O SER A 67 -0.804 5.256 3.017 1.00 0.00 O ATOM 1026 CB SER A 67 0.259 3.748 0.858 1.00 0.00 C ATOM 1027 OG SER A 67 1.426 4.429 0.421 1.00 0.00 O ATOM 0 H SER A 67 0.198 5.759 -0.512 1.00 0.00 H new ATOM 0 HA SER A 67 -1.834 3.920 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.373 3.472 1.906 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.150 2.821 0.295 1.00 0.00 H new ATOM 0 HG SER A 67 2.208 3.852 0.547 1.00 0.00 H new ATOM 1033 N GLU A 68 -2.560 6.079 1.873 1.00 0.00 N ATOM 1034 CA GLU A 68 -3.225 6.728 2.995 1.00 0.00 C ATOM 1035 C GLU A 68 -4.742 6.756 2.732 1.00 0.00 C ATOM 1036 O GLU A 68 -5.177 6.679 1.573 1.00 0.00 O ATOM 1037 CB GLU A 68 -2.651 8.147 3.186 1.00 0.00 C ATOM 1038 CG GLU A 68 -2.900 8.689 4.600 1.00 0.00 C ATOM 1039 CD GLU A 68 -2.373 10.114 4.778 1.00 0.00 C ATOM 1040 OE1 GLU A 68 -3.058 11.071 4.343 1.00 0.00 O ATOM 1041 OE2 GLU A 68 -1.312 10.314 5.405 1.00 0.00 O ATOM 0 H GLU A 68 -3.031 6.243 0.983 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.049 6.173 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.579 8.133 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.101 8.820 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.969 8.671 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.421 8.034 5.327 1.00 0.00 H new ATOM 1048 N SER A 69 -5.539 6.898 3.792 1.00 0.00 N ATOM 1049 CA SER A 69 -6.965 7.210 3.785 1.00 0.00 C ATOM 1050 C SER A 69 -7.244 8.562 3.113 1.00 0.00 C ATOM 1051 O SER A 69 -6.333 9.362 2.883 1.00 0.00 O ATOM 1052 CB SER A 69 -7.460 7.284 5.241 1.00 0.00 C ATOM 1053 OG SER A 69 -7.068 6.168 6.019 1.00 0.00 O ATOM 0 H SER A 69 -5.179 6.790 4.740 1.00 0.00 H new ATOM 0 HA SER A 69 -7.482 6.430 3.226 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.077 8.194 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.547 7.358 5.245 1.00 0.00 H new ATOM 0 HG SER A 69 -7.408 6.270 6.932 1.00 0.00 H new ATOM 1059 N GLY A 70 -8.524 8.875 2.902 1.00 0.00 N ATOM 1060 CA GLY A 70 -8.978 10.207 2.525 1.00 0.00 C ATOM 1061 C GLY A 70 -10.385 10.422 3.076 1.00 0.00 C ATOM 1062 O GLY A 70 -11.349 10.373 2.310 1.00 0.00 O ATOM 0 H GLY A 70 -9.282 8.198 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.299 10.963 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.977 10.313 1.440 1.00 0.00 H new ATOM 1066 N PRO A 71 -10.539 10.581 4.398 1.00 0.00 N ATOM 1067 CA PRO A 71 -11.832 10.655 5.059 1.00 0.00 C ATOM 1068 C PRO A 71 -12.481 12.026 4.826 1.00 0.00 C ATOM 1069 O PRO A 71 -12.446 12.914 5.686 1.00 0.00 O ATOM 1070 CB PRO A 71 -11.519 10.354 6.522 1.00 0.00 C ATOM 1071 CG PRO A 71 -10.114 10.919 6.717 1.00 0.00 C ATOM 1072 CD PRO A 71 -9.457 10.689 5.363 1.00 0.00 C ATOM 0 HA PRO A 71 -12.567 9.949 4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.237 10.828 7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.552 9.284 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.138 11.977 6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.580 10.405 7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.790 11.513 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.853 9.782 5.373 1.00 0.00 H new ATOM 1080 N SER A 72 -13.060 12.206 3.642 1.00 0.00 N ATOM 1081 CA SER A 72 -13.760 13.398 3.206 1.00 0.00 C ATOM 1082 C SER A 72 -15.077 12.918 2.607 1.00 0.00 C ATOM 1083 O SER A 72 -15.085 12.219 1.591 1.00 0.00 O ATOM 1084 CB SER A 72 -12.897 14.171 2.195 1.00 0.00 C ATOM 1085 OG SER A 72 -13.288 15.529 2.130 1.00 0.00 O ATOM 0 H SER A 72 -13.049 11.480 2.925 1.00 0.00 H new ATOM 0 HA SER A 72 -13.957 14.091 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.847 14.104 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.988 13.715 1.209 1.00 0.00 H new ATOM 0 HG SER A 72 -12.724 16.001 1.482 1.00 0.00 H new ATOM 1091 N SER A 73 -16.190 13.208 3.276 1.00 0.00 N ATOM 1092 CA SER A 73 -17.507 13.100 2.692 1.00 0.00 C ATOM 1093 C SER A 73 -17.742 14.428 1.982 1.00 0.00 C ATOM 1094 O SER A 73 -18.113 15.418 2.621 1.00 0.00 O ATOM 1095 CB SER A 73 -18.553 12.802 3.774 1.00 0.00 C ATOM 1096 OG SER A 73 -19.432 11.778 3.347 1.00 0.00 O ATOM 0 H SER A 73 -16.194 13.526 4.245 1.00 0.00 H new ATOM 0 HA SER A 73 -17.590 12.274 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.055 12.501 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.120 13.706 3.998 1.00 0.00 H new ATOM 0 HG SER A 73 -20.092 11.599 4.049 1.00 0.00 H new ATOM 1102 N GLY A 74 -17.446 14.447 0.680 1.00 0.00 N ATOM 1103 CA GLY A 74 -17.700 15.600 -0.159 1.00 0.00 C ATOM 1104 C GLY A 74 -19.179 15.916 -0.112 1.00 0.00 C ATOM 1105 O GLY A 74 -19.959 14.949 -0.300 1.00 0.00 O ATOM 0 H GLY A 74 -17.024 13.660 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.119 16.455 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.389 15.398 -1.184 1.00 0.00 H new TER 1109 GLY A 74