USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 688 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 10 TYR OH : rot -162:sc= 0.209 USER MOD Set 1.2: X 40 HIS : no HE2:sc= 0.378 K(o=0.59,f=-4.9!) USER MOD Single : X 4 LYS NZ :NH3+ -142:sc= 1.27 (180deg=0.0363) USER MOD Single : X 5 ASN :FLIP amide:sc= -0.0532 F(o=-1.4!,f=-0.053) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot -25:sc= 0.386 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.462 USER MOD Single : X 17 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.7) USER MOD Single : X 20 LYS NZ :NH3+ -169:sc= 0.942 (180deg=0.264) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 ASN : amide:sc= -0.208 X(o=-0.21,f=0.12) USER MOD Single : X 30 THR OG1 : rot 124:sc= -3.76! USER MOD Single : X 43 LYS NZ :NH3+ -169:sc=-0.000493 (180deg=-0.112) USER MOD Single : X 45 THR OG1 : rot -92:sc= 1.02 USER MOD Single : X 47 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-3.9!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 77 LYS NZ :NH3+ -174:sc= -0.003 (180deg=-0.0337) USER MOD Single : X 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0436) USER MOD Single : X 86 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.8!) USER MOD Single : X 88 LYS NZ :NH3+ -169:sc= -0.0106 (180deg=-0.137) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.900 2.606 8.170 1.00 0.00 N ATOM 2 CA GLU X 2 60.293 3.888 7.841 1.00 0.00 C ATOM 3 C GLU X 2 61.328 4.730 7.158 1.00 0.00 C ATOM 4 O GLU X 2 62.506 4.386 7.175 1.00 0.00 O ATOM 5 CB GLU X 2 59.795 4.592 9.101 1.00 0.00 C ATOM 6 CG GLU X 2 58.845 3.759 9.942 1.00 0.00 C ATOM 7 CD GLU X 2 57.690 3.224 9.146 1.00 0.00 C ATOM 8 OE1 GLU X 2 56.650 3.896 9.040 1.00 0.00 O ATOM 9 OE2 GLU X 2 57.806 2.102 8.620 1.00 0.00 O ATOM 0 HA GLU X 2 59.435 3.732 7.187 1.00 0.00 H new ATOM 0 HB2 GLU X 2 60.654 4.872 9.711 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.294 5.516 8.814 1.00 0.00 H new ATOM 0 HG2 GLU X 2 59.392 2.927 10.386 1.00 0.00 H new ATOM 0 HG3 GLU X 2 58.465 4.366 10.764 1.00 0.00 H new ATOM 16 N LEU X 3 60.910 5.820 6.583 1.00 0.00 N ATOM 17 CA LEU X 3 61.802 6.682 5.867 1.00 0.00 C ATOM 18 C LEU X 3 62.345 7.735 6.765 1.00 0.00 C ATOM 19 O LEU X 3 61.616 8.344 7.544 1.00 0.00 O ATOM 20 CB LEU X 3 61.102 7.345 4.680 1.00 0.00 C ATOM 21 CG LEU X 3 60.658 6.418 3.566 1.00 0.00 C ATOM 22 CD1 LEU X 3 59.990 7.210 2.446 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.852 5.658 3.042 1.00 0.00 C ATOM 0 H LEU X 3 59.940 6.136 6.598 1.00 0.00 H new ATOM 0 HA LEU X 3 62.619 6.065 5.493 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.227 7.879 5.052 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.775 8.091 4.258 1.00 0.00 H new ATOM 0 HG LEU X 3 59.928 5.710 3.957 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.678 6.529 1.655 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.118 7.733 2.840 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.696 7.935 2.042 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.535 4.990 2.241 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.591 6.361 2.658 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.293 5.073 3.849 1.00 0.00 H new ATOM 35 N LYS X 4 63.620 7.915 6.694 1.00 0.00 N ATOM 36 CA LYS X 4 64.291 8.954 7.417 1.00 0.00 C ATOM 37 C LYS X 4 64.647 10.031 6.400 1.00 0.00 C ATOM 38 O LYS X 4 64.078 10.055 5.314 1.00 0.00 O ATOM 39 CB LYS X 4 65.573 8.413 8.075 1.00 0.00 C ATOM 40 CG LYS X 4 65.455 7.083 8.823 1.00 0.00 C ATOM 41 CD LYS X 4 64.207 6.964 9.634 1.00 0.00 C ATOM 42 CE LYS X 4 64.389 5.934 10.739 1.00 0.00 C ATOM 43 NZ LYS X 4 63.126 5.562 11.404 1.00 0.00 N ATOM 0 H LYS X 4 64.240 7.338 6.125 1.00 0.00 H new ATOM 0 HA LYS X 4 63.654 9.347 8.209 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.332 8.301 7.300 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.940 9.165 8.774 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.490 6.266 8.103 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.318 6.967 9.479 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.954 7.931 10.068 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.375 6.675 8.992 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.848 5.039 10.320 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.081 6.328 11.483 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.295 5.433 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.424 6.316 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.768 4.674 10.997 1.00 0.00 H new ATOM 57 N ASN X 5 65.523 10.931 6.737 1.00 0.00 N ATOM 58 CA ASN X 5 65.983 11.917 5.762 1.00 0.00 C ATOM 59 C ASN X 5 67.447 11.713 5.460 1.00 0.00 C ATOM 60 O ASN X 5 67.917 12.009 4.357 1.00 0.00 O ATOM 61 CB ASN X 5 65.697 13.367 6.190 1.00 0.00 C ATOM 62 CG ASN X 5 64.212 13.745 6.153 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.454 13.162 5.245 1.00 0.00 O flip ATOM 64 ND2 ASN X 5 63.758 14.584 6.937 1.00 0.00 N flip ATOM 0 H ASN X 5 65.939 11.016 7.665 1.00 0.00 H new ATOM 0 HA ASN X 5 65.408 11.755 4.850 1.00 0.00 H new ATOM 0 HB2 ASN X 5 66.075 13.518 7.201 1.00 0.00 H new ATOM 0 HB3 ASN X 5 66.250 14.043 5.538 1.00 0.00 H new ATOM 0 HD21 ASN X 5 64.369 15.018 7.629 1.00 0.00 H new ATOM 0 HD22 ASN X 5 62.772 14.843 6.893 1.00 0.00 H new ATOM 71 N SER X 6 68.164 11.186 6.422 1.00 0.00 N ATOM 72 CA SER X 6 69.543 10.872 6.232 1.00 0.00 C ATOM 73 C SER X 6 69.797 9.436 6.663 1.00 0.00 C ATOM 74 O SER X 6 68.981 8.842 7.394 1.00 0.00 O ATOM 75 CB SER X 6 70.425 11.839 7.023 1.00 0.00 C ATOM 76 OG SER X 6 70.131 11.787 8.413 1.00 0.00 O ATOM 0 H SER X 6 67.803 10.967 7.350 1.00 0.00 H new ATOM 0 HA SER X 6 69.795 10.976 5.177 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.474 11.592 6.862 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.276 12.854 6.655 1.00 0.00 H new ATOM 0 HG SER X 6 70.711 12.414 8.894 1.00 0.00 H new ATOM 82 N ILE X 7 70.924 8.888 6.243 1.00 0.00 N ATOM 83 CA ILE X 7 71.310 7.522 6.569 1.00 0.00 C ATOM 84 C ILE X 7 71.607 7.397 8.080 1.00 0.00 C ATOM 85 O ILE X 7 71.548 6.318 8.656 1.00 0.00 O ATOM 86 CB ILE X 7 72.571 7.095 5.742 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.823 5.581 5.862 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.809 7.892 6.173 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.045 5.089 5.105 1.00 0.00 C ATOM 0 H ILE X 7 71.603 9.380 5.662 1.00 0.00 H new ATOM 0 HA ILE X 7 70.482 6.861 6.313 1.00 0.00 H new ATOM 0 HB ILE X 7 72.375 7.321 4.694 1.00 0.00 H new ATOM 0 HG12 ILE X 7 72.936 5.326 6.916 1.00 0.00 H new ATOM 0 HG13 ILE X 7 71.945 5.048 5.497 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.669 7.575 5.583 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.631 8.955 6.013 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.008 7.712 7.230 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.149 4.013 5.243 1.00 0.00 H new ATOM 0 HD12 ILE X 7 73.929 5.310 4.044 1.00 0.00 H new ATOM 0 HD13 ILE X 7 74.935 5.591 5.485 1.00 0.00 H new ATOM 101 N SER X 8 71.809 8.533 8.727 1.00 0.00 N ATOM 102 CA SER X 8 72.223 8.562 10.098 1.00 0.00 C ATOM 103 C SER X 8 71.047 8.312 11.046 1.00 0.00 C ATOM 104 O SER X 8 71.232 8.257 12.266 1.00 0.00 O ATOM 105 CB SER X 8 72.935 9.890 10.418 1.00 0.00 C ATOM 106 OG SER X 8 73.469 9.888 11.743 1.00 0.00 O ATOM 0 H SER X 8 71.688 9.454 8.307 1.00 0.00 H new ATOM 0 HA SER X 8 72.934 7.751 10.254 1.00 0.00 H new ATOM 0 HB2 SER X 8 73.738 10.056 9.700 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.233 10.717 10.308 1.00 0.00 H new ATOM 0 HG SER X 8 72.960 9.262 12.300 1.00 0.00 H new ATOM 112 N ASP X 9 69.848 8.177 10.508 1.00 0.00 N ATOM 113 CA ASP X 9 68.715 7.839 11.350 1.00 0.00 C ATOM 114 C ASP X 9 68.275 6.429 11.036 1.00 0.00 C ATOM 115 O ASP X 9 67.351 5.884 11.632 1.00 0.00 O ATOM 116 CB ASP X 9 67.552 8.797 11.165 1.00 0.00 C ATOM 117 CG ASP X 9 66.565 8.721 12.310 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.999 8.635 13.475 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.349 8.767 12.072 1.00 0.00 O ATOM 0 H ASP X 9 69.636 8.293 9.517 1.00 0.00 H new ATOM 0 HA ASP X 9 69.032 7.919 12.390 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.931 9.815 11.081 1.00 0.00 H new ATOM 0 HB3 ASP X 9 67.040 8.569 10.230 1.00 0.00 H new ATOM 124 N TYR X 10 68.989 5.819 10.141 1.00 0.00 N ATOM 125 CA TYR X 10 68.661 4.501 9.693 1.00 0.00 C ATOM 126 C TYR X 10 69.413 3.512 10.482 1.00 0.00 C ATOM 127 O TYR X 10 70.620 3.570 10.541 1.00 0.00 O ATOM 128 CB TYR X 10 68.955 4.293 8.196 1.00 0.00 C ATOM 129 CG TYR X 10 67.831 4.685 7.269 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.764 3.823 7.070 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.826 5.895 6.598 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.721 4.152 6.239 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.777 6.240 5.763 1.00 0.00 C ATOM 134 CZ TYR X 10 65.731 5.360 5.591 1.00 0.00 C ATOM 135 OH TYR X 10 64.680 5.706 4.798 1.00 0.00 O ATOM 0 H TYR X 10 69.816 6.221 9.700 1.00 0.00 H new ATOM 0 HA TYR X 10 67.588 4.369 9.835 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.842 4.868 7.931 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.194 3.243 8.030 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.752 2.871 7.580 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.651 6.579 6.727 1.00 0.00 H new ATOM 0 HE1 TYR X 10 64.900 3.465 6.097 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.779 7.191 5.251 1.00 0.00 H new ATOM 0 HH TYR X 10 64.951 6.427 4.192 1.00 0.00 H new ATOM 145 N THR X 11 68.712 2.649 11.134 1.00 0.00 N ATOM 146 CA THR X 11 69.328 1.570 11.824 1.00 0.00 C ATOM 147 C THR X 11 69.587 0.492 10.785 1.00 0.00 C ATOM 148 O THR X 11 69.184 0.670 9.613 1.00 0.00 O ATOM 149 CB THR X 11 68.398 1.052 12.948 1.00 0.00 C ATOM 150 OG1 THR X 11 67.163 0.574 12.398 1.00 0.00 O ATOM 151 CG2 THR X 11 68.082 2.171 13.928 1.00 0.00 C ATOM 0 H THR X 11 67.695 2.672 11.203 1.00 0.00 H new ATOM 0 HA THR X 11 70.259 1.877 12.302 1.00 0.00 H new ATOM 0 HB THR X 11 68.914 0.240 13.460 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.587 0.249 13.121 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.427 1.793 14.713 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.007 2.538 14.372 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.585 2.986 13.402 1.00 0.00 H new ATOM 159 N GLU X 12 70.229 -0.596 11.161 1.00 0.00 N ATOM 160 CA GLU X 12 70.513 -1.664 10.204 1.00 0.00 C ATOM 161 C GLU X 12 69.197 -2.141 9.663 1.00 0.00 C ATOM 162 O GLU X 12 68.966 -2.137 8.473 1.00 0.00 O ATOM 163 CB GLU X 12 71.140 -2.874 10.880 1.00 0.00 C ATOM 164 CG GLU X 12 72.161 -2.581 11.935 1.00 0.00 C ATOM 165 CD GLU X 12 73.479 -2.046 11.438 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.315 -2.849 10.937 1.00 0.00 O ATOM 167 OE2 GLU X 12 73.756 -0.854 11.631 1.00 0.00 O ATOM 0 H GLU X 12 70.563 -0.770 12.109 1.00 0.00 H new ATOM 0 HA GLU X 12 71.190 -1.271 9.445 1.00 0.00 H new ATOM 0 HB2 GLU X 12 70.344 -3.468 11.328 1.00 0.00 H new ATOM 0 HB3 GLU X 12 71.606 -3.493 10.113 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.738 -1.860 12.634 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.350 -3.496 12.496 1.00 0.00 H new ATOM 174 N ALA X 13 68.313 -2.459 10.577 1.00 0.00 N ATOM 175 CA ALA X 13 67.061 -3.042 10.246 1.00 0.00 C ATOM 176 C ALA X 13 66.115 -2.062 9.535 1.00 0.00 C ATOM 177 O ALA X 13 65.423 -2.456 8.606 1.00 0.00 O ATOM 178 CB ALA X 13 66.431 -3.690 11.444 1.00 0.00 C ATOM 0 H ALA X 13 68.455 -2.314 11.577 1.00 0.00 H new ATOM 0 HA ALA X 13 67.258 -3.830 9.519 1.00 0.00 H new ATOM 0 HB1 ALA X 13 65.474 -4.128 11.160 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.089 -4.472 11.823 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.272 -2.942 12.221 1.00 0.00 H new ATOM 184 N GLU X 14 66.101 -0.778 9.957 1.00 0.00 N ATOM 185 CA GLU X 14 65.296 0.252 9.258 1.00 0.00 C ATOM 186 C GLU X 14 65.706 0.328 7.820 1.00 0.00 C ATOM 187 O GLU X 14 64.866 0.417 6.920 1.00 0.00 O ATOM 188 CB GLU X 14 65.476 1.646 9.891 1.00 0.00 C ATOM 189 CG GLU X 14 64.515 1.965 11.015 1.00 0.00 C ATOM 190 CD GLU X 14 63.091 2.114 10.526 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.697 3.225 10.111 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.329 1.134 10.562 1.00 0.00 O ATOM 0 H GLU X 14 66.626 -0.434 10.761 1.00 0.00 H new ATOM 0 HA GLU X 14 64.249 -0.040 9.346 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.495 1.728 10.270 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.364 2.400 9.112 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.559 1.174 11.764 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.827 2.887 11.506 1.00 0.00 H new ATOM 199 N PHE X 15 66.993 0.249 7.608 1.00 0.00 N ATOM 200 CA PHE X 15 67.526 0.357 6.309 1.00 0.00 C ATOM 201 C PHE X 15 67.273 -0.932 5.529 1.00 0.00 C ATOM 202 O PHE X 15 66.749 -0.881 4.428 1.00 0.00 O ATOM 203 CB PHE X 15 69.001 0.699 6.400 1.00 0.00 C ATOM 204 CG PHE X 15 69.602 1.159 5.126 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.192 2.342 4.543 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.575 0.426 4.517 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.754 2.769 3.369 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.145 0.850 3.344 1.00 0.00 C ATOM 209 CZ PHE X 15 70.731 2.022 2.773 1.00 0.00 C ATOM 0 H PHE X 15 67.687 0.108 8.342 1.00 0.00 H new ATOM 0 HA PHE X 15 67.031 1.160 5.764 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.136 1.476 7.153 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.545 -0.179 6.748 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.423 2.935 5.016 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.902 -0.501 4.964 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.426 3.693 2.916 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.918 0.261 2.873 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.177 2.358 1.849 1.00 0.00 H new ATOM 219 N VAL X 16 67.582 -2.090 6.133 1.00 0.00 N ATOM 220 CA VAL X 16 67.393 -3.379 5.456 1.00 0.00 C ATOM 221 C VAL X 16 65.939 -3.585 5.046 1.00 0.00 C ATOM 222 O VAL X 16 65.680 -4.077 3.965 1.00 0.00 O ATOM 223 CB VAL X 16 67.893 -4.643 6.265 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.320 -4.563 6.712 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.977 -5.045 7.388 1.00 0.00 C ATOM 0 H VAL X 16 67.959 -2.159 7.078 1.00 0.00 H new ATOM 0 HA VAL X 16 68.030 -3.309 4.575 1.00 0.00 H new ATOM 0 HB VAL X 16 67.855 -5.448 5.531 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.581 -5.469 7.259 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.969 -4.464 5.842 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.450 -3.697 7.361 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.386 -5.918 7.896 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.887 -4.222 8.097 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.993 -5.287 6.986 1.00 0.00 H new ATOM 235 N GLN X 17 64.999 -3.163 5.897 1.00 0.00 N ATOM 236 CA GLN X 17 63.605 -3.332 5.650 1.00 0.00 C ATOM 237 C GLN X 17 63.158 -2.499 4.468 1.00 0.00 C ATOM 238 O GLN X 17 62.472 -3.001 3.574 1.00 0.00 O ATOM 239 CB GLN X 17 62.811 -2.976 6.906 1.00 0.00 C ATOM 240 CG GLN X 17 61.331 -3.010 6.695 1.00 0.00 C ATOM 241 CD GLN X 17 60.840 -4.362 6.210 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.391 -5.415 6.564 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.850 -4.347 5.373 1.00 0.00 N ATOM 0 H GLN X 17 65.209 -2.693 6.778 1.00 0.00 H new ATOM 0 HA GLN X 17 63.417 -4.377 5.402 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.074 -3.671 7.704 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.101 -1.980 7.242 1.00 0.00 H new ATOM 0 HG2 GLN X 17 60.829 -2.759 7.629 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.054 -2.245 5.969 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.422 -3.461 5.105 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.499 -5.221 4.982 1.00 0.00 H new ATOM 252 N LEU X 18 63.576 -1.255 4.445 1.00 0.00 N ATOM 253 CA LEU X 18 63.216 -0.352 3.375 1.00 0.00 C ATOM 254 C LEU X 18 63.789 -0.885 2.072 1.00 0.00 C ATOM 255 O LEU X 18 63.129 -0.896 1.044 1.00 0.00 O ATOM 256 CB LEU X 18 63.718 1.072 3.717 1.00 0.00 C ATOM 257 CG LEU X 18 63.327 2.242 2.776 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.182 2.293 1.528 1.00 0.00 C ATOM 259 CD2 LEU X 18 61.850 2.173 2.406 1.00 0.00 C ATOM 0 H LEU X 18 64.172 -0.841 5.162 1.00 0.00 H new ATOM 0 HA LEU X 18 62.134 -0.289 3.257 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.361 1.318 4.717 1.00 0.00 H new ATOM 0 HB3 LEU X 18 64.806 1.037 3.767 1.00 0.00 H new ATOM 0 HG LEU X 18 63.510 3.163 3.330 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.866 3.130 0.905 1.00 0.00 H new ATOM 0 HD12 LEU X 18 65.227 2.423 1.808 1.00 0.00 H new ATOM 0 HD13 LEU X 18 64.069 1.363 0.971 1.00 0.00 H new ATOM 0 HD21 LEU X 18 61.601 3.004 1.746 1.00 0.00 H new ATOM 0 HD22 LEU X 18 61.646 1.231 1.897 1.00 0.00 H new ATOM 0 HD23 LEU X 18 61.245 2.234 3.311 1.00 0.00 H new ATOM 271 N LEU X 19 64.996 -1.362 2.160 1.00 0.00 N ATOM 272 CA LEU X 19 65.701 -1.974 1.046 1.00 0.00 C ATOM 273 C LEU X 19 64.979 -3.185 0.474 1.00 0.00 C ATOM 274 O LEU X 19 64.966 -3.382 -0.740 1.00 0.00 O ATOM 275 CB LEU X 19 67.103 -2.325 1.454 1.00 0.00 C ATOM 276 CG LEU X 19 68.145 -1.256 1.158 1.00 0.00 C ATOM 277 CD1 LEU X 19 67.763 0.084 1.741 1.00 0.00 C ATOM 278 CD2 LEU X 19 69.448 -1.687 1.698 1.00 0.00 C ATOM 0 H LEU X 19 65.539 -1.341 3.023 1.00 0.00 H new ATOM 0 HA LEU X 19 65.733 -1.237 0.244 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.113 -2.534 2.524 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.394 -3.245 0.947 1.00 0.00 H new ATOM 0 HG LEU X 19 68.207 -1.133 0.077 1.00 0.00 H new ATOM 0 HD11 LEU X 19 68.535 0.817 1.506 1.00 0.00 H new ATOM 0 HD12 LEU X 19 66.813 0.408 1.316 1.00 0.00 H new ATOM 0 HD13 LEU X 19 67.665 -0.005 2.823 1.00 0.00 H new ATOM 0 HD21 LEU X 19 70.199 -0.925 1.489 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.366 -1.830 2.776 1.00 0.00 H new ATOM 0 HD23 LEU X 19 69.744 -2.626 1.229 1.00 0.00 H new ATOM 290 N LYS X 20 64.351 -3.972 1.345 1.00 0.00 N ATOM 291 CA LYS X 20 63.572 -5.138 0.916 1.00 0.00 C ATOM 292 C LYS X 20 62.398 -4.660 0.066 1.00 0.00 C ATOM 293 O LYS X 20 62.045 -5.256 -0.952 1.00 0.00 O ATOM 294 CB LYS X 20 63.002 -5.894 2.120 1.00 0.00 C ATOM 295 CG LYS X 20 64.008 -6.364 3.142 1.00 0.00 C ATOM 296 CD LYS X 20 63.280 -7.062 4.299 1.00 0.00 C ATOM 297 CE LYS X 20 64.219 -7.587 5.379 1.00 0.00 C ATOM 298 NZ LYS X 20 64.942 -8.805 4.965 1.00 0.00 N ATOM 0 H LYS X 20 64.365 -3.825 2.354 1.00 0.00 H new ATOM 0 HA LYS X 20 64.230 -5.801 0.354 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.280 -5.249 2.620 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.454 -6.762 1.753 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.718 -7.050 2.679 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.582 -5.517 3.518 1.00 0.00 H new ATOM 0 HD2 LYS X 20 62.576 -6.363 4.749 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.695 -7.892 3.902 1.00 0.00 H new ATOM 0 HE2 LYS X 20 64.940 -6.811 5.635 1.00 0.00 H new ATOM 0 HE3 LYS X 20 63.645 -7.799 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.419 -9.223 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.268 -9.491 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 65.650 -8.560 4.243 1.00 0.00 H new ATOM 312 N GLU X 21 61.808 -3.562 0.499 1.00 0.00 N ATOM 313 CA GLU X 21 60.699 -2.951 -0.197 1.00 0.00 C ATOM 314 C GLU X 21 61.156 -2.443 -1.560 1.00 0.00 C ATOM 315 O GLU X 21 60.423 -2.534 -2.552 1.00 0.00 O ATOM 316 CB GLU X 21 60.122 -1.809 0.636 1.00 0.00 C ATOM 317 CG GLU X 21 59.531 -2.245 1.972 1.00 0.00 C ATOM 318 CD GLU X 21 58.238 -3.012 1.829 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.168 -2.381 1.801 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.251 -4.258 1.758 1.00 0.00 O ATOM 0 H GLU X 21 62.088 -3.069 1.347 1.00 0.00 H new ATOM 0 HA GLU X 21 59.918 -3.697 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU X 21 60.908 -1.077 0.821 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.348 -1.307 0.056 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.257 -2.865 2.498 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.357 -1.364 2.590 1.00 0.00 H new ATOM 327 N ILE X 22 62.388 -1.946 -1.608 1.00 0.00 N ATOM 328 CA ILE X 22 62.964 -1.439 -2.838 1.00 0.00 C ATOM 329 C ILE X 22 63.099 -2.552 -3.851 1.00 0.00 C ATOM 330 O ILE X 22 62.817 -2.354 -5.029 1.00 0.00 O ATOM 331 CB ILE X 22 64.351 -0.782 -2.659 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.356 0.214 -1.514 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.716 -0.067 -3.941 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.681 0.935 -1.340 1.00 0.00 C ATOM 0 H ILE X 22 63.007 -1.886 -0.800 1.00 0.00 H new ATOM 0 HA ILE X 22 62.275 -0.667 -3.181 1.00 0.00 H new ATOM 0 HB ILE X 22 65.075 -1.563 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.570 0.951 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.112 -0.308 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.694 0.402 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE X 22 64.749 -0.784 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE X 22 63.969 0.697 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.610 1.630 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.468 0.207 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE X 22 65.918 1.486 -2.250 1.00 0.00 H new ATOM 346 N GLU X 23 63.489 -3.733 -3.375 1.00 0.00 N ATOM 347 CA GLU X 23 63.692 -4.897 -4.235 1.00 0.00 C ATOM 348 C GLU X 23 62.439 -5.194 -4.994 1.00 0.00 C ATOM 349 O GLU X 23 62.466 -5.403 -6.192 1.00 0.00 O ATOM 350 CB GLU X 23 63.934 -6.136 -3.413 1.00 0.00 C ATOM 351 CG GLU X 23 65.160 -6.186 -2.561 1.00 0.00 C ATOM 352 CD GLU X 23 65.188 -7.515 -1.843 1.00 0.00 C ATOM 353 OE1 GLU X 23 64.399 -7.711 -0.899 1.00 0.00 O ATOM 354 OE2 GLU X 23 65.928 -8.427 -2.272 1.00 0.00 O ATOM 0 H GLU X 23 63.672 -3.910 -2.387 1.00 0.00 H new ATOM 0 HA GLU X 23 64.537 -4.665 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.070 -6.279 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.966 -6.987 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.053 -6.067 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.156 -5.367 -1.842 1.00 0.00 H new ATOM 361 N LYS X 24 61.344 -5.178 -4.279 1.00 0.00 N ATOM 362 CA LYS X 24 60.067 -5.548 -4.812 1.00 0.00 C ATOM 363 C LYS X 24 59.644 -4.599 -5.939 1.00 0.00 C ATOM 364 O LYS X 24 59.179 -5.044 -6.992 1.00 0.00 O ATOM 365 CB LYS X 24 59.044 -5.568 -3.695 1.00 0.00 C ATOM 366 CG LYS X 24 57.776 -6.350 -4.016 1.00 0.00 C ATOM 367 CD LYS X 24 58.057 -7.847 -4.180 1.00 0.00 C ATOM 368 CE LYS X 24 58.567 -8.471 -2.880 1.00 0.00 C ATOM 369 NZ LYS X 24 58.892 -9.900 -3.036 1.00 0.00 N ATOM 0 H LYS X 24 61.318 -4.903 -3.297 1.00 0.00 H new ATOM 0 HA LYS X 24 60.136 -6.546 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.505 -5.996 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS X 24 58.771 -4.541 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.046 -6.202 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.331 -5.961 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.146 -8.356 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.795 -7.995 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS X 24 59.454 -7.933 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS X 24 57.811 -8.355 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 59.233 -10.279 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 58.040 -10.420 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 59.632 -10.011 -3.758 1.00 0.00 H new ATOM 383 N GLU X 25 59.833 -3.306 -5.733 1.00 0.00 N ATOM 384 CA GLU X 25 59.511 -2.323 -6.746 1.00 0.00 C ATOM 385 C GLU X 25 60.519 -2.415 -7.903 1.00 0.00 C ATOM 386 O GLU X 25 60.173 -2.230 -9.066 1.00 0.00 O ATOM 387 CB GLU X 25 59.521 -0.909 -6.132 1.00 0.00 C ATOM 388 CG GLU X 25 58.552 -0.716 -4.965 1.00 0.00 C ATOM 389 CD GLU X 25 57.094 -0.746 -5.379 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.571 -1.814 -5.738 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.425 0.302 -5.302 1.00 0.00 O ATOM 0 H GLU X 25 60.209 -2.915 -4.869 1.00 0.00 H new ATOM 0 HA GLU X 25 58.513 -2.524 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.531 -0.683 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.279 -0.187 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.727 -1.496 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU X 25 58.764 0.237 -4.480 1.00 0.00 H new ATOM 398 N ASN X 26 61.751 -2.753 -7.569 1.00 0.00 N ATOM 399 CA ASN X 26 62.847 -2.826 -8.535 1.00 0.00 C ATOM 400 C ASN X 26 62.741 -4.041 -9.449 1.00 0.00 C ATOM 401 O ASN X 26 62.910 -3.921 -10.660 1.00 0.00 O ATOM 402 CB ASN X 26 64.205 -2.796 -7.814 1.00 0.00 C ATOM 403 CG ASN X 26 65.397 -2.758 -8.758 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.942 -3.788 -9.141 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.809 -1.573 -9.137 1.00 0.00 N ATOM 0 H ASN X 26 62.027 -2.987 -6.616 1.00 0.00 H new ATOM 0 HA ASN X 26 62.769 -1.947 -9.175 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.241 -1.923 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.287 -3.675 -7.175 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.605 -1.488 -9.769 1.00 0.00 H new ATOM 0 HD22 ASN X 26 65.333 -0.736 -8.800 1.00 0.00 H new ATOM 412 N VAL X 27 62.447 -5.200 -8.891 1.00 0.00 N ATOM 413 CA VAL X 27 62.337 -6.419 -9.693 1.00 0.00 C ATOM 414 C VAL X 27 61.084 -6.410 -10.564 1.00 0.00 C ATOM 415 O VAL X 27 61.076 -6.968 -11.659 1.00 0.00 O ATOM 416 CB VAL X 27 62.406 -7.728 -8.848 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.743 -7.835 -8.130 1.00 0.00 C ATOM 418 CG2 VAL X 27 61.253 -7.822 -7.852 1.00 0.00 C ATOM 0 H VAL X 27 62.280 -5.330 -7.893 1.00 0.00 H new ATOM 0 HA VAL X 27 63.213 -6.419 -10.341 1.00 0.00 H new ATOM 0 HB VAL X 27 62.312 -8.566 -9.538 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.770 -8.755 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL X 27 64.550 -7.846 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.869 -6.980 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.338 -8.748 -7.283 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.291 -6.973 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL X 27 60.305 -7.813 -8.390 1.00 0.00 H new ATOM 428 N ALA X 28 60.046 -5.744 -10.096 1.00 0.00 N ATOM 429 CA ALA X 28 58.810 -5.656 -10.846 1.00 0.00 C ATOM 430 C ALA X 28 58.828 -4.439 -11.761 1.00 0.00 C ATOM 431 O ALA X 28 57.905 -4.241 -12.557 1.00 0.00 O ATOM 432 CB ALA X 28 57.616 -5.600 -9.906 1.00 0.00 C ATOM 0 H ALA X 28 60.035 -5.256 -9.200 1.00 0.00 H new ATOM 0 HA ALA X 28 58.718 -6.550 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.697 -5.534 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.593 -6.501 -9.293 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.701 -4.725 -9.262 1.00 0.00 H new ATOM 438 N ALA X 29 59.900 -3.651 -11.632 1.00 0.00 N ATOM 439 CA ALA X 29 60.130 -2.419 -12.374 1.00 0.00 C ATOM 440 C ALA X 29 58.919 -1.506 -12.361 1.00 0.00 C ATOM 441 O ALA X 29 58.273 -1.268 -13.396 1.00 0.00 O ATOM 442 CB ALA X 29 60.633 -2.679 -13.788 1.00 0.00 C ATOM 0 H ALA X 29 60.656 -3.867 -10.982 1.00 0.00 H new ATOM 0 HA ALA X 29 60.928 -1.891 -11.851 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.789 -1.729 -14.299 1.00 0.00 H new ATOM 0 HB2 ALA X 29 61.575 -3.226 -13.744 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.896 -3.268 -14.334 1.00 0.00 H new ATOM 448 N THR X 30 58.586 -1.037 -11.190 1.00 0.00 N ATOM 449 CA THR X 30 57.466 -0.157 -11.007 1.00 0.00 C ATOM 450 C THR X 30 57.902 1.285 -11.323 1.00 0.00 C ATOM 451 O THR X 30 58.932 1.487 -12.006 1.00 0.00 O ATOM 452 CB THR X 30 56.944 -0.290 -9.574 1.00 0.00 C ATOM 453 OG1 THR X 30 57.985 0.010 -8.661 1.00 0.00 O ATOM 454 CG2 THR X 30 56.471 -1.708 -9.317 1.00 0.00 C ATOM 0 H THR X 30 59.088 -1.257 -10.330 1.00 0.00 H new ATOM 0 HA THR X 30 56.655 -0.423 -11.685 1.00 0.00 H new ATOM 0 HB THR X 30 56.113 0.402 -9.441 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.698 0.731 -8.063 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.102 -1.789 -8.294 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.669 -1.956 -10.012 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.301 -2.400 -9.459 1.00 0.00 H new ATOM 462 N ASP X 31 57.172 2.286 -10.871 1.00 0.00 N ATOM 463 CA ASP X 31 57.552 3.637 -11.237 1.00 0.00 C ATOM 464 C ASP X 31 57.636 4.597 -10.076 1.00 0.00 C ATOM 465 O ASP X 31 58.734 4.966 -9.668 1.00 0.00 O ATOM 466 CB ASP X 31 56.663 4.194 -12.348 1.00 0.00 C ATOM 467 CG ASP X 31 57.158 5.520 -12.886 1.00 0.00 C ATOM 468 OD1 ASP X 31 58.000 5.510 -13.811 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.723 6.588 -12.399 1.00 0.00 O ATOM 0 H ASP X 31 56.348 2.199 -10.276 1.00 0.00 H new ATOM 0 HA ASP X 31 58.569 3.548 -11.618 1.00 0.00 H new ATOM 0 HB2 ASP X 31 56.613 3.472 -13.163 1.00 0.00 H new ATOM 0 HB3 ASP X 31 55.649 4.317 -11.968 1.00 0.00 H new ATOM 474 N ASP X 32 56.494 4.963 -9.517 1.00 0.00 N ATOM 475 CA ASP X 32 56.423 6.025 -8.493 1.00 0.00 C ATOM 476 C ASP X 32 57.287 5.765 -7.315 1.00 0.00 C ATOM 477 O ASP X 32 58.145 6.574 -6.987 1.00 0.00 O ATOM 478 CB ASP X 32 54.986 6.315 -8.056 1.00 0.00 C ATOM 479 CG ASP X 32 54.894 7.393 -6.976 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.986 8.597 -7.299 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.724 7.055 -5.793 1.00 0.00 O ATOM 0 H ASP X 32 55.592 4.546 -9.748 1.00 0.00 H new ATOM 0 HA ASP X 32 56.814 6.917 -8.982 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.405 6.628 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.533 5.396 -7.683 1.00 0.00 H new ATOM 486 N VAL X 33 57.146 4.625 -6.743 1.00 0.00 N ATOM 487 CA VAL X 33 57.840 4.325 -5.547 1.00 0.00 C ATOM 488 C VAL X 33 59.191 3.780 -5.858 1.00 0.00 C ATOM 489 O VAL X 33 60.134 3.965 -5.104 1.00 0.00 O ATOM 490 CB VAL X 33 57.022 3.404 -4.648 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.807 2.979 -3.491 1.00 0.00 C ATOM 492 CG2 VAL X 33 55.853 4.151 -4.171 1.00 0.00 C ATOM 0 H VAL X 33 56.547 3.876 -7.091 1.00 0.00 H new ATOM 0 HA VAL X 33 57.986 5.246 -4.982 1.00 0.00 H new ATOM 0 HB VAL X 33 56.725 2.521 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.204 2.323 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL X 33 58.694 2.443 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.110 3.854 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.252 3.512 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.184 5.025 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.254 4.472 -5.023 1.00 0.00 H new ATOM 502 N LEU X 34 59.296 3.216 -7.019 1.00 0.00 N ATOM 503 CA LEU X 34 60.536 2.707 -7.516 1.00 0.00 C ATOM 504 C LEU X 34 61.524 3.856 -7.558 1.00 0.00 C ATOM 505 O LEU X 34 62.581 3.782 -6.949 1.00 0.00 O ATOM 506 CB LEU X 34 60.273 2.092 -8.901 1.00 0.00 C ATOM 507 CG LEU X 34 61.409 1.432 -9.693 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.199 2.454 -10.476 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.311 0.619 -8.784 1.00 0.00 C ATOM 0 H LEU X 34 58.511 3.094 -7.659 1.00 0.00 H new ATOM 0 HA LEU X 34 60.958 1.927 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.491 1.343 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU X 34 59.860 2.881 -9.529 1.00 0.00 H new ATOM 0 HG LEU X 34 60.956 0.747 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU X 34 62.996 1.954 -11.026 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.539 2.964 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.633 3.182 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.106 0.163 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.748 1.271 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.728 -0.162 -8.297 1.00 0.00 H new ATOM 521 N ASP X 35 61.126 4.952 -8.159 1.00 0.00 N ATOM 522 CA ASP X 35 61.977 6.089 -8.238 1.00 0.00 C ATOM 523 C ASP X 35 62.131 6.803 -6.929 1.00 0.00 C ATOM 524 O ASP X 35 63.084 7.558 -6.768 1.00 0.00 O ATOM 525 CB ASP X 35 61.572 7.040 -9.330 1.00 0.00 C ATOM 526 CG ASP X 35 61.844 6.537 -10.724 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.000 6.152 -11.027 1.00 0.00 O ATOM 528 OD2 ASP X 35 60.908 6.527 -11.552 1.00 0.00 O ATOM 0 H ASP X 35 60.213 5.069 -8.598 1.00 0.00 H new ATOM 0 HA ASP X 35 62.958 5.692 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.507 7.252 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP X 35 62.099 7.984 -9.188 1.00 0.00 H new ATOM 533 N VAL X 36 61.219 6.601 -5.988 1.00 0.00 N ATOM 534 CA VAL X 36 61.429 7.207 -4.684 1.00 0.00 C ATOM 535 C VAL X 36 62.527 6.496 -4.011 1.00 0.00 C ATOM 536 O VAL X 36 63.496 7.080 -3.580 1.00 0.00 O ATOM 537 CB VAL X 36 60.248 7.026 -3.718 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.543 7.701 -2.406 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.011 7.542 -4.268 1.00 0.00 C ATOM 0 H VAL X 36 60.367 6.050 -6.093 1.00 0.00 H new ATOM 0 HA VAL X 36 61.602 8.265 -4.880 1.00 0.00 H new ATOM 0 HB VAL X 36 60.119 5.955 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.699 7.566 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.437 7.261 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.707 8.765 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.204 7.393 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.121 8.607 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.777 7.015 -5.193 1.00 0.00 H new ATOM 549 N LEU X 37 62.391 5.216 -4.019 1.00 0.00 N ATOM 550 CA LEU X 37 63.225 4.366 -3.275 1.00 0.00 C ATOM 551 C LEU X 37 64.595 4.349 -3.791 1.00 0.00 C ATOM 552 O LEU X 37 65.532 4.423 -3.026 1.00 0.00 O ATOM 553 CB LEU X 37 62.674 2.993 -3.242 1.00 0.00 C ATOM 554 CG LEU X 37 61.268 2.839 -2.638 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.796 1.403 -2.694 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.232 3.352 -1.202 1.00 0.00 C ATOM 0 H LEU X 37 61.676 4.728 -4.559 1.00 0.00 H new ATOM 0 HA LEU X 37 63.261 4.760 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.653 2.608 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.360 2.362 -2.677 1.00 0.00 H new ATOM 0 HG LEU X 37 60.588 3.442 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.799 1.330 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU X 37 60.764 1.071 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.484 0.772 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.227 3.232 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.937 2.784 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.506 4.407 -1.186 1.00 0.00 H new ATOM 568 N LEU X 38 64.708 4.279 -5.085 1.00 0.00 N ATOM 569 CA LEU X 38 65.981 4.240 -5.719 1.00 0.00 C ATOM 570 C LEU X 38 66.765 5.482 -5.400 1.00 0.00 C ATOM 571 O LEU X 38 67.915 5.395 -4.969 1.00 0.00 O ATOM 572 CB LEU X 38 65.832 4.028 -7.219 1.00 0.00 C ATOM 573 CG LEU X 38 65.183 2.720 -7.673 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.309 2.569 -9.157 1.00 0.00 C ATOM 575 CD2 LEU X 38 65.741 1.506 -6.956 1.00 0.00 C ATOM 0 H LEU X 38 63.915 4.248 -5.726 1.00 0.00 H new ATOM 0 HA LEU X 38 66.541 3.390 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.246 4.855 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.822 4.089 -7.670 1.00 0.00 H new ATOM 0 HG LEU X 38 64.128 2.775 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU X 38 64.843 1.634 -9.468 1.00 0.00 H new ATOM 0 HD12 LEU X 38 64.812 3.404 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.363 2.559 -9.433 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.242 0.608 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU X 38 66.811 1.430 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.571 1.607 -5.884 1.00 0.00 H new ATOM 587 N GLU X 39 66.121 6.619 -5.527 1.00 0.00 N ATOM 588 CA GLU X 39 66.769 7.865 -5.247 1.00 0.00 C ATOM 589 C GLU X 39 67.022 8.066 -3.778 1.00 0.00 C ATOM 590 O GLU X 39 68.092 8.526 -3.396 1.00 0.00 O ATOM 591 CB GLU X 39 65.981 9.016 -5.764 1.00 0.00 C ATOM 592 CG GLU X 39 66.006 9.194 -7.254 1.00 0.00 C ATOM 593 CD GLU X 39 67.407 9.338 -7.803 1.00 0.00 C ATOM 594 OE1 GLU X 39 68.156 10.209 -7.334 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.775 8.593 -8.737 1.00 0.00 O ATOM 0 H GLU X 39 65.148 6.700 -5.823 1.00 0.00 H new ATOM 0 HA GLU X 39 67.730 7.821 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.945 8.898 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.355 9.929 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.522 8.339 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.424 10.076 -7.520 1.00 0.00 H new ATOM 602 N HIS X 40 66.037 7.750 -2.966 1.00 0.00 N ATOM 603 CA HIS X 40 66.125 7.943 -1.534 1.00 0.00 C ATOM 604 C HIS X 40 67.267 7.139 -0.974 1.00 0.00 C ATOM 605 O HIS X 40 68.079 7.639 -0.211 1.00 0.00 O ATOM 606 CB HIS X 40 64.805 7.556 -0.847 1.00 0.00 C ATOM 607 CG HIS X 40 64.784 7.794 0.641 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.279 8.924 1.233 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.238 7.017 1.653 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.441 8.810 2.546 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.022 7.665 2.857 1.00 0.00 N ATOM 0 H HIS X 40 65.152 7.352 -3.279 1.00 0.00 H new ATOM 0 HA HIS X 40 66.309 8.999 -1.338 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.992 8.121 -1.304 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.607 6.501 -1.037 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.853 9.714 0.749 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.696 6.046 1.539 1.00 0.00 H new ATOM 0 HE1 HIS X 40 64.137 9.556 3.266 1.00 0.00 H new ATOM 619 N PHE X 41 67.340 5.928 -1.402 1.00 0.00 N ATOM 620 CA PHE X 41 68.357 5.020 -0.998 1.00 0.00 C ATOM 621 C PHE X 41 69.747 5.556 -1.346 1.00 0.00 C ATOM 622 O PHE X 41 70.635 5.631 -0.488 1.00 0.00 O ATOM 623 CB PHE X 41 68.065 3.702 -1.670 1.00 0.00 C ATOM 624 CG PHE X 41 69.164 2.729 -1.679 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.531 2.083 -0.535 1.00 0.00 C ATOM 626 CD2 PHE X 41 69.835 2.459 -2.842 1.00 0.00 C ATOM 627 CE1 PHE X 41 70.552 1.176 -0.547 1.00 0.00 C ATOM 628 CE2 PHE X 41 70.851 1.556 -2.853 1.00 0.00 C ATOM 629 CZ PHE X 41 71.213 0.911 -1.714 1.00 0.00 C ATOM 0 H PHE X 41 66.674 5.529 -2.063 1.00 0.00 H new ATOM 0 HA PHE X 41 68.357 4.890 0.084 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.207 3.247 -1.176 1.00 0.00 H new ATOM 0 HB3 PHE X 41 67.772 3.899 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.010 2.291 0.388 1.00 0.00 H new ATOM 0 HD2 PHE X 41 69.556 2.966 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE X 41 70.837 0.669 0.363 1.00 0.00 H new ATOM 0 HE2 PHE X 41 71.375 1.350 -3.775 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.019 0.192 -1.730 1.00 0.00 H new ATOM 639 N VAL X 42 69.939 5.914 -2.578 1.00 0.00 N ATOM 640 CA VAL X 42 71.202 6.446 -3.004 1.00 0.00 C ATOM 641 C VAL X 42 71.519 7.830 -2.408 1.00 0.00 C ATOM 642 O VAL X 42 72.654 8.128 -2.149 1.00 0.00 O ATOM 643 CB VAL X 42 71.393 6.378 -4.531 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.408 7.180 -5.266 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.809 6.668 -4.966 1.00 0.00 C ATOM 0 H VAL X 42 69.234 5.848 -3.312 1.00 0.00 H new ATOM 0 HA VAL X 42 71.957 5.782 -2.582 1.00 0.00 H new ATOM 0 HB VAL X 42 71.203 5.339 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.593 7.092 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.404 6.819 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.494 8.225 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.876 6.604 -6.052 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.091 7.670 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.484 5.939 -4.517 1.00 0.00 H new ATOM 655 N LYS X 43 70.509 8.646 -2.172 1.00 0.00 N ATOM 656 CA LYS X 43 70.736 10.009 -1.614 1.00 0.00 C ATOM 657 C LYS X 43 71.264 9.947 -0.184 1.00 0.00 C ATOM 658 O LYS X 43 72.099 10.760 0.205 1.00 0.00 O ATOM 659 CB LYS X 43 69.463 10.915 -1.656 1.00 0.00 C ATOM 660 CG LYS X 43 68.395 10.607 -0.577 1.00 0.00 C ATOM 661 CD LYS X 43 67.117 11.427 -0.749 1.00 0.00 C ATOM 662 CE LYS X 43 67.315 12.905 -0.425 1.00 0.00 C ATOM 663 NZ LYS X 43 67.631 13.140 1.011 1.00 0.00 N ATOM 0 H LYS X 43 69.531 8.415 -2.347 1.00 0.00 H new ATOM 0 HA LYS X 43 71.486 10.463 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.773 11.954 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.001 10.819 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.147 9.546 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.816 10.803 0.409 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.763 11.329 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.339 11.019 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS X 43 68.122 13.303 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.412 13.455 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 67.572 14.158 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.949 12.626 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 68.593 12.801 1.215 1.00 0.00 H new ATOM 677 N ILE X 44 70.776 8.989 0.587 1.00 0.00 N ATOM 678 CA ILE X 44 71.173 8.865 1.976 1.00 0.00 C ATOM 679 C ILE X 44 72.510 8.152 2.109 1.00 0.00 C ATOM 680 O ILE X 44 73.312 8.480 2.970 1.00 0.00 O ATOM 681 CB ILE X 44 70.079 8.161 2.830 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.693 6.818 2.208 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.851 9.063 2.957 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.648 6.052 2.966 1.00 0.00 C ATOM 0 H ILE X 44 70.105 8.288 0.273 1.00 0.00 H new ATOM 0 HA ILE X 44 71.291 9.876 2.365 1.00 0.00 H new ATOM 0 HB ILE X 44 70.481 7.974 3.826 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.332 6.993 1.195 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.588 6.201 2.125 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.091 8.561 3.556 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.135 9.998 3.440 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.450 9.274 1.966 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.439 5.115 2.451 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.010 5.840 3.972 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.735 6.644 3.027 1.00 0.00 H new ATOM 696 N THR X 45 72.766 7.209 1.233 1.00 0.00 N ATOM 697 CA THR X 45 74.004 6.481 1.286 1.00 0.00 C ATOM 698 C THR X 45 75.108 7.240 0.577 1.00 0.00 C ATOM 699 O THR X 45 76.241 7.347 1.088 1.00 0.00 O ATOM 700 CB THR X 45 73.854 5.072 0.660 1.00 0.00 C ATOM 701 OG1 THR X 45 73.288 5.172 -0.655 1.00 0.00 O ATOM 702 CG2 THR X 45 72.969 4.199 1.511 1.00 0.00 C ATOM 0 H THR X 45 72.135 6.932 0.481 1.00 0.00 H new ATOM 0 HA THR X 45 74.270 6.368 2.337 1.00 0.00 H new ATOM 0 HB THR X 45 74.846 4.624 0.601 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.313 5.097 -0.598 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.879 3.215 1.051 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.406 4.097 2.504 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.981 4.653 1.594 1.00 0.00 H new ATOM 710 N GLU X 46 74.751 7.793 -0.568 1.00 0.00 N ATOM 711 CA GLU X 46 75.644 8.441 -1.488 1.00 0.00 C ATOM 712 C GLU X 46 76.658 7.449 -1.990 1.00 0.00 C ATOM 713 O GLU X 46 77.790 7.362 -1.511 1.00 0.00 O ATOM 714 CB GLU X 46 76.243 9.728 -0.939 1.00 0.00 C ATOM 715 CG GLU X 46 75.208 10.802 -0.718 1.00 0.00 C ATOM 716 CD GLU X 46 75.798 12.087 -0.237 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.303 12.866 -1.064 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.753 12.348 0.970 1.00 0.00 O ATOM 0 H GLU X 46 73.783 7.798 -0.889 1.00 0.00 H new ATOM 0 HA GLU X 46 75.069 8.782 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.748 9.516 0.003 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.001 10.096 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.672 10.980 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.476 10.450 0.008 1.00 0.00 H new ATOM 725 N HIS X 47 76.182 6.605 -2.867 1.00 0.00 N ATOM 726 CA HIS X 47 76.966 5.548 -3.424 1.00 0.00 C ATOM 727 C HIS X 47 76.882 5.676 -4.935 1.00 0.00 C ATOM 728 O HIS X 47 75.804 5.902 -5.452 1.00 0.00 O ATOM 729 CB HIS X 47 76.388 4.185 -2.970 1.00 0.00 C ATOM 730 CG HIS X 47 77.308 3.020 -3.190 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.198 2.114 -4.217 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.387 2.631 -2.479 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.203 1.241 -4.096 1.00 0.00 C ATOM 734 NE2 HIS X 47 78.944 1.518 -3.055 1.00 0.00 N ATOM 0 H HIS X 47 75.224 6.638 -3.216 1.00 0.00 H new ATOM 0 HA HIS X 47 78.003 5.608 -3.093 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.141 4.243 -1.910 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.456 4.003 -3.505 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.756 3.122 -1.591 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.380 0.415 -4.770 1.00 0.00 H new ATOM 0 HE2 HIS X 47 79.769 1.010 -2.736 1.00 0.00 H new ATOM 742 N PRO X 48 77.983 5.481 -5.673 1.00 0.00 N ATOM 743 CA PRO X 48 78.007 5.666 -7.143 1.00 0.00 C ATOM 744 C PRO X 48 77.260 4.593 -7.861 1.00 0.00 C ATOM 745 O PRO X 48 77.036 4.662 -9.062 1.00 0.00 O ATOM 746 CB PRO X 48 79.463 5.479 -7.500 1.00 0.00 C ATOM 747 CG PRO X 48 80.216 5.554 -6.237 1.00 0.00 C ATOM 748 CD PRO X 48 79.296 5.055 -5.180 1.00 0.00 C ATOM 0 HA PRO X 48 77.565 6.624 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.622 4.518 -7.990 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.794 6.250 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.120 4.947 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.530 6.577 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.356 3.972 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.524 5.489 -4.206 1.00 0.00 H new ATOM 756 N ASP X 49 76.865 3.621 -7.125 1.00 0.00 N ATOM 757 CA ASP X 49 76.302 2.469 -7.665 1.00 0.00 C ATOM 758 C ASP X 49 75.098 2.155 -6.828 1.00 0.00 C ATOM 759 O ASP X 49 74.786 1.006 -6.620 1.00 0.00 O ATOM 760 CB ASP X 49 77.273 1.268 -7.575 1.00 0.00 C ATOM 761 CG ASP X 49 78.571 1.435 -8.307 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.631 1.187 -9.535 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.573 1.769 -7.662 1.00 0.00 O ATOM 0 H ASP X 49 76.932 3.617 -6.107 1.00 0.00 H new ATOM 0 HA ASP X 49 76.062 2.634 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.490 1.076 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP X 49 76.767 0.384 -7.963 1.00 0.00 H new ATOM 768 N GLY X 50 74.456 3.204 -6.304 1.00 0.00 N ATOM 769 CA GLY X 50 73.298 3.055 -5.417 1.00 0.00 C ATOM 770 C GLY X 50 72.283 2.156 -5.961 1.00 0.00 C ATOM 771 O GLY X 50 72.014 1.100 -5.407 1.00 0.00 O ATOM 0 H GLY X 50 74.722 4.173 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.632 2.677 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY X 50 72.853 4.034 -5.240 1.00 0.00 H new ATOM 775 N THR X 51 71.821 2.481 -7.074 1.00 0.00 N ATOM 776 CA THR X 51 70.750 1.745 -7.641 1.00 0.00 C ATOM 777 C THR X 51 71.249 0.363 -8.121 1.00 0.00 C ATOM 778 O THR X 51 70.514 -0.634 -8.074 1.00 0.00 O ATOM 779 CB THR X 51 70.125 2.546 -8.762 1.00 0.00 C ATOM 780 OG1 THR X 51 70.313 3.956 -8.469 1.00 0.00 O ATOM 781 CG2 THR X 51 68.650 2.276 -8.782 1.00 0.00 C ATOM 0 H THR X 51 72.158 3.261 -7.638 1.00 0.00 H new ATOM 0 HA THR X 51 69.982 1.567 -6.888 1.00 0.00 H new ATOM 0 HB THR X 51 70.578 2.278 -9.716 1.00 0.00 H new ATOM 0 HG1 THR X 51 69.916 4.495 -9.185 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.186 2.848 -9.586 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.477 1.212 -8.946 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.213 2.572 -7.828 1.00 0.00 H new ATOM 789 N ALA X 52 72.526 0.310 -8.487 1.00 0.00 N ATOM 790 CA ALA X 52 73.176 -0.917 -8.904 1.00 0.00 C ATOM 791 C ALA X 52 73.268 -1.906 -7.763 1.00 0.00 C ATOM 792 O ALA X 52 73.142 -3.075 -7.993 1.00 0.00 O ATOM 793 CB ALA X 52 74.538 -0.634 -9.497 1.00 0.00 C ATOM 0 H ALA X 52 73.139 1.125 -8.501 1.00 0.00 H new ATOM 0 HA ALA X 52 72.562 -1.371 -9.682 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.004 -1.571 -9.802 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.429 0.016 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.164 -0.143 -8.752 1.00 0.00 H new ATOM 799 N LEU X 53 73.451 -1.416 -6.532 1.00 0.00 N ATOM 800 CA LEU X 53 73.475 -2.267 -5.325 1.00 0.00 C ATOM 801 C LEU X 53 72.207 -3.078 -5.239 1.00 0.00 C ATOM 802 O LEU X 53 72.242 -4.276 -5.007 1.00 0.00 O ATOM 803 CB LEU X 53 73.581 -1.404 -4.065 1.00 0.00 C ATOM 804 CG LEU X 53 74.886 -0.653 -3.872 1.00 0.00 C ATOM 805 CD1 LEU X 53 74.755 0.311 -2.719 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.021 -1.629 -3.603 1.00 0.00 C ATOM 0 H LEU X 53 73.587 -0.424 -6.339 1.00 0.00 H new ATOM 0 HA LEU X 53 74.339 -2.927 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU X 53 72.768 -0.679 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU X 53 73.423 -2.045 -3.197 1.00 0.00 H new ATOM 0 HG LEU X 53 75.110 -0.097 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU X 53 75.694 0.847 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU X 53 73.957 1.023 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU X 53 74.519 -0.240 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU X 53 76.951 -1.077 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU X 53 75.803 -2.201 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.124 -2.309 -4.448 1.00 0.00 H new ATOM 818 N ILE X 54 71.091 -2.419 -5.470 1.00 0.00 N ATOM 819 CA ILE X 54 69.788 -3.092 -5.404 1.00 0.00 C ATOM 820 C ILE X 54 69.680 -4.116 -6.539 1.00 0.00 C ATOM 821 O ILE X 54 69.257 -5.262 -6.334 1.00 0.00 O ATOM 822 CB ILE X 54 68.620 -2.084 -5.487 1.00 0.00 C ATOM 823 CG1 ILE X 54 68.656 -1.124 -4.303 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.273 -2.816 -5.511 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.063 0.211 -4.623 1.00 0.00 C ATOM 0 H ILE X 54 71.047 -1.427 -5.704 1.00 0.00 H new ATOM 0 HA ILE X 54 69.718 -3.599 -4.442 1.00 0.00 H new ATOM 0 HB ILE X 54 68.732 -1.517 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.115 -1.566 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.689 -0.990 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.464 -2.088 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.232 -3.474 -6.379 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.164 -3.407 -4.602 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.116 0.853 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.619 0.670 -5.441 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.021 0.085 -4.918 1.00 0.00 H new ATOM 837 N TYR X 55 70.098 -3.687 -7.718 1.00 0.00 N ATOM 838 CA TYR X 55 70.106 -4.525 -8.905 1.00 0.00 C ATOM 839 C TYR X 55 70.967 -5.756 -8.717 1.00 0.00 C ATOM 840 O TYR X 55 70.516 -6.888 -8.963 1.00 0.00 O ATOM 841 CB TYR X 55 70.617 -3.734 -10.098 1.00 0.00 C ATOM 842 CG TYR X 55 69.582 -2.933 -10.846 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.577 -3.567 -11.558 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.617 -1.550 -10.858 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.637 -2.844 -12.257 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.683 -0.820 -11.557 1.00 0.00 C ATOM 847 CZ TYR X 55 67.697 -1.470 -12.255 1.00 0.00 C ATOM 848 OH TYR X 55 66.764 -0.740 -12.956 1.00 0.00 O ATOM 0 H TYR X 55 70.444 -2.741 -7.879 1.00 0.00 H new ATOM 0 HA TYR X 55 69.081 -4.849 -9.083 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.395 -3.054 -9.752 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.086 -4.428 -10.796 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.530 -4.646 -11.565 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.391 -1.034 -10.309 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.857 -3.353 -12.804 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.726 0.259 -11.556 1.00 0.00 H new ATOM 0 HH TYR X 55 66.949 0.216 -12.849 1.00 0.00 H new ATOM 858 N GLU X 56 72.181 -5.551 -8.248 1.00 0.00 N ATOM 859 CA GLU X 56 73.076 -6.636 -8.033 1.00 0.00 C ATOM 860 C GLU X 56 72.601 -7.535 -6.927 1.00 0.00 C ATOM 861 O GLU X 56 72.745 -8.709 -7.038 1.00 0.00 O ATOM 862 CB GLU X 56 74.546 -6.229 -7.874 1.00 0.00 C ATOM 863 CG GLU X 56 74.854 -5.241 -6.780 1.00 0.00 C ATOM 864 CD GLU X 56 76.327 -5.145 -6.532 1.00 0.00 C ATOM 865 OE1 GLU X 56 76.868 -5.963 -5.765 1.00 0.00 O ATOM 866 OE2 GLU X 56 76.993 -4.290 -7.145 1.00 0.00 O ATOM 0 H GLU X 56 72.558 -4.633 -8.012 1.00 0.00 H new ATOM 0 HA GLU X 56 73.058 -7.213 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.132 -7.130 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU X 56 74.888 -5.809 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.464 -4.260 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.348 -5.541 -5.863 1.00 0.00 H new ATOM 873 N ALA X 57 71.985 -6.974 -5.885 1.00 0.00 N ATOM 874 CA ALA X 57 71.467 -7.775 -4.761 1.00 0.00 C ATOM 875 C ALA X 57 70.490 -8.830 -5.256 1.00 0.00 C ATOM 876 O ALA X 57 70.506 -9.969 -4.797 1.00 0.00 O ATOM 877 CB ALA X 57 70.779 -6.887 -3.740 1.00 0.00 C ATOM 0 H ALA X 57 71.830 -5.970 -5.791 1.00 0.00 H new ATOM 0 HA ALA X 57 72.315 -8.270 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.404 -7.499 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA X 57 71.491 -6.158 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA X 57 69.947 -6.366 -4.213 1.00 0.00 H new ATOM 883 N ALA X 58 69.669 -8.456 -6.225 1.00 0.00 N ATOM 884 CA ALA X 58 68.718 -9.382 -6.814 1.00 0.00 C ATOM 885 C ALA X 58 69.452 -10.548 -7.472 1.00 0.00 C ATOM 886 O ALA X 58 69.108 -11.716 -7.256 1.00 0.00 O ATOM 887 CB ALA X 58 67.824 -8.668 -7.819 1.00 0.00 C ATOM 0 H ALA X 58 69.643 -7.516 -6.620 1.00 0.00 H new ATOM 0 HA ALA X 58 68.084 -9.779 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.119 -9.380 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.275 -7.872 -7.316 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.437 -8.241 -8.612 1.00 0.00 H new ATOM 893 N ALA X 59 70.484 -10.223 -8.227 1.00 0.00 N ATOM 894 CA ALA X 59 71.288 -11.228 -8.918 1.00 0.00 C ATOM 895 C ALA X 59 72.174 -12.028 -7.940 1.00 0.00 C ATOM 896 O ALA X 59 72.257 -13.261 -8.025 1.00 0.00 O ATOM 897 CB ALA X 59 72.136 -10.574 -10.002 1.00 0.00 C ATOM 0 H ALA X 59 70.792 -9.263 -8.382 1.00 0.00 H new ATOM 0 HA ALA X 59 70.603 -11.935 -9.385 1.00 0.00 H new ATOM 0 HB1 ALA X 59 72.730 -11.335 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.486 -10.081 -10.725 1.00 0.00 H new ATOM 0 HB3 ALA X 59 72.800 -9.837 -9.550 1.00 0.00 H new ATOM 903 N ARG X 60 72.792 -11.322 -6.998 1.00 0.00 N ATOM 904 CA ARG X 60 73.695 -11.907 -6.002 1.00 0.00 C ATOM 905 C ARG X 60 72.976 -12.900 -5.138 1.00 0.00 C ATOM 906 O ARG X 60 73.513 -13.941 -4.827 1.00 0.00 O ATOM 907 CB ARG X 60 74.334 -10.833 -5.112 1.00 0.00 C ATOM 908 CG ARG X 60 75.250 -9.877 -5.845 1.00 0.00 C ATOM 909 CD ARG X 60 75.731 -8.758 -4.939 1.00 0.00 C ATOM 910 NE ARG X 60 76.596 -9.234 -3.862 1.00 0.00 N ATOM 911 CZ ARG X 60 77.492 -8.484 -3.206 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.673 -7.204 -3.532 1.00 0.00 N ATOM 913 NH2 ARG X 60 78.225 -9.030 -2.246 1.00 0.00 N ATOM 0 H ARG X 60 72.681 -10.313 -6.900 1.00 0.00 H new ATOM 0 HA ARG X 60 74.484 -12.415 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.542 -10.260 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.900 -11.324 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.108 -10.423 -6.237 1.00 0.00 H new ATOM 0 HG3 ARG X 60 74.725 -9.453 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.271 -8.022 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG X 60 74.869 -8.249 -4.508 1.00 0.00 H new ATOM 0 HE ARG X 60 76.511 -10.213 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.127 -6.788 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.357 -6.641 -3.027 1.00 0.00 H new ATOM 0 HH21 ARG X 60 78.105 -10.015 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.909 -8.465 -1.743 1.00 0.00 H new ATOM 927 N ALA X 61 71.756 -12.586 -4.759 1.00 0.00 N ATOM 928 CA ALA X 61 70.985 -13.499 -3.953 1.00 0.00 C ATOM 929 C ALA X 61 70.451 -14.655 -4.795 1.00 0.00 C ATOM 930 O ALA X 61 70.291 -15.769 -4.296 1.00 0.00 O ATOM 931 CB ALA X 61 69.858 -12.770 -3.239 1.00 0.00 C ATOM 0 H ALA X 61 71.283 -11.714 -4.995 1.00 0.00 H new ATOM 0 HA ALA X 61 71.644 -13.920 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA X 61 69.290 -13.479 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA X 61 70.276 -11.998 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA X 61 69.199 -12.309 -3.975 1.00 0.00 H new ATOM 937 N ALA X 62 70.201 -14.396 -6.074 1.00 0.00 N ATOM 938 CA ALA X 62 69.670 -15.416 -6.973 1.00 0.00 C ATOM 939 C ALA X 62 70.714 -16.483 -7.271 1.00 0.00 C ATOM 940 O ALA X 62 70.449 -17.682 -7.136 1.00 0.00 O ATOM 941 CB ALA X 62 69.165 -14.788 -8.264 1.00 0.00 C ATOM 0 H ALA X 62 70.357 -13.488 -6.512 1.00 0.00 H new ATOM 0 HA ALA X 62 68.830 -15.897 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.774 -15.567 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA X 62 68.373 -14.074 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA X 62 69.986 -14.273 -8.763 1.00 0.00 H new ATOM 947 N ALA X 63 71.900 -16.055 -7.645 1.00 0.00 N ATOM 948 CA ALA X 63 72.974 -16.985 -7.943 1.00 0.00 C ATOM 949 C ALA X 63 73.623 -17.468 -6.660 1.00 0.00 C ATOM 950 O ALA X 63 73.849 -18.660 -6.478 1.00 0.00 O ATOM 951 CB ALA X 63 74.006 -16.333 -8.851 1.00 0.00 C ATOM 0 H ALA X 63 72.148 -15.071 -7.751 1.00 0.00 H new ATOM 0 HA ALA X 63 72.554 -17.846 -8.464 1.00 0.00 H new ATOM 0 HB1 ALA X 63 74.804 -17.044 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA X 63 73.530 -16.031 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA X 63 74.424 -15.456 -8.356 1.00 0.00 H new ATOM 957 N ASN X 64 73.866 -16.521 -5.773 1.00 0.00 N ATOM 958 CA ASN X 64 74.521 -16.723 -4.478 1.00 0.00 C ATOM 959 C ASN X 64 75.881 -17.409 -4.604 1.00 0.00 C ATOM 960 O ASN X 64 75.992 -18.638 -4.500 1.00 0.00 O ATOM 961 CB ASN X 64 73.614 -17.419 -3.446 1.00 0.00 C ATOM 962 CG ASN X 64 74.252 -17.480 -2.062 1.00 0.00 C ATOM 963 OD1 ASN X 64 74.934 -18.432 -1.715 1.00 0.00 O ATOM 964 ND2 ASN X 64 74.033 -16.469 -1.265 1.00 0.00 N ATOM 0 H ASN X 64 73.605 -15.548 -5.934 1.00 0.00 H new ATOM 0 HA ASN X 64 74.713 -15.723 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN X 64 72.665 -16.887 -3.383 1.00 0.00 H new ATOM 0 HB3 ASN X 64 73.391 -18.430 -3.786 1.00 0.00 H new ATOM 0 HD21 ASN X 64 74.435 -16.462 -0.328 1.00 0.00 H new ATOM 0 HD22 ASN X 64 73.460 -15.686 -1.580 1.00 0.00 H new ATOM 971 N PRO X 65 76.935 -16.630 -4.901 1.00 0.00 N ATOM 972 CA PRO X 65 78.288 -17.163 -5.003 1.00 0.00 C ATOM 973 C PRO X 65 78.805 -17.569 -3.624 1.00 0.00 C ATOM 974 O PRO X 65 79.400 -18.644 -3.447 1.00 0.00 O ATOM 975 CB PRO X 65 79.113 -15.982 -5.563 1.00 0.00 C ATOM 976 CG PRO X 65 78.100 -15.001 -6.060 1.00 0.00 C ATOM 977 CD PRO X 65 76.896 -15.184 -5.191 1.00 0.00 C ATOM 0 HA PRO X 65 78.346 -18.052 -5.631 1.00 0.00 H new ATOM 0 HB2 PRO X 65 79.744 -15.541 -4.791 1.00 0.00 H new ATOM 0 HB3 PRO X 65 79.773 -16.308 -6.367 1.00 0.00 H new ATOM 0 HG2 PRO X 65 78.478 -13.981 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO X 65 77.858 -15.185 -7.107 1.00 0.00 H new ATOM 0 HD2 PRO X 65 76.956 -14.585 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO X 65 75.978 -14.896 -5.703 1.00 0.00 H new ATOM 985 N GLY X 66 78.544 -16.734 -2.648 1.00 0.00 N ATOM 986 CA GLY X 66 78.974 -16.994 -1.310 1.00 0.00 C ATOM 987 C GLY X 66 79.597 -15.780 -0.695 1.00 0.00 C ATOM 988 O GLY X 66 80.488 -15.163 -1.290 1.00 0.00 O ATOM 0 H GLY X 66 78.030 -15.861 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY X 66 78.124 -17.314 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY X 66 79.692 -17.814 -1.309 1.00 0.00 H new ATOM 992 N GLY X 67 79.108 -15.410 0.454 1.00 0.00 N ATOM 993 CA GLY X 67 79.619 -14.276 1.159 1.00 0.00 C ATOM 994 C GLY X 67 78.552 -13.721 2.045 1.00 0.00 C ATOM 995 O GLY X 67 77.675 -14.472 2.493 1.00 0.00 O ATOM 0 H GLY X 67 78.342 -15.889 0.927 1.00 0.00 H new ATOM 0 HA2 GLY X 67 80.487 -14.564 1.753 1.00 0.00 H new ATOM 0 HA3 GLY X 67 79.953 -13.515 0.453 1.00 0.00 H new ATOM 999 N ASP X 68 78.582 -12.436 2.291 1.00 0.00 N ATOM 1000 CA ASP X 68 77.575 -11.809 3.146 1.00 0.00 C ATOM 1001 C ASP X 68 76.656 -10.939 2.335 1.00 0.00 C ATOM 1002 O ASP X 68 75.747 -10.310 2.876 1.00 0.00 O ATOM 1003 CB ASP X 68 78.202 -10.948 4.251 1.00 0.00 C ATOM 1004 CG ASP X 68 79.014 -11.718 5.252 1.00 0.00 C ATOM 1005 OD1 ASP X 68 78.434 -12.452 6.081 1.00 0.00 O ATOM 1006 OD2 ASP X 68 80.249 -11.591 5.242 1.00 0.00 O ATOM 0 H ASP X 68 79.284 -11.796 1.919 1.00 0.00 H new ATOM 0 HA ASP X 68 77.018 -12.624 3.609 1.00 0.00 H new ATOM 0 HB2 ASP X 68 78.838 -10.193 3.789 1.00 0.00 H new ATOM 0 HB3 ASP X 68 77.408 -10.418 4.776 1.00 0.00 H new ATOM 1011 N GLY X 69 76.886 -10.899 1.053 1.00 0.00 N ATOM 1012 CA GLY X 69 76.119 -10.063 0.187 1.00 0.00 C ATOM 1013 C GLY X 69 75.114 -10.831 -0.589 1.00 0.00 C ATOM 1014 O GLY X 69 75.358 -11.190 -1.747 1.00 0.00 O ATOM 0 H GLY X 69 77.609 -11.445 0.584 1.00 0.00 H new ATOM 0 HA2 GLY X 69 75.613 -9.299 0.777 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.787 -9.545 -0.500 1.00 0.00 H new ATOM 1018 N GLY X 70 74.016 -11.135 0.053 1.00 0.00 N ATOM 1019 CA GLY X 70 72.934 -11.775 -0.621 1.00 0.00 C ATOM 1020 C GLY X 70 71.967 -10.745 -1.142 1.00 0.00 C ATOM 1021 O GLY X 70 72.135 -10.228 -2.241 1.00 0.00 O ATOM 0 H GLY X 70 73.854 -10.947 1.042 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.315 -12.378 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY X 70 72.422 -12.454 0.060 1.00 0.00 H new ATOM 1025 N GLY X 71 70.992 -10.412 -0.335 1.00 0.00 N ATOM 1026 CA GLY X 71 70.000 -9.459 -0.731 1.00 0.00 C ATOM 1027 C GLY X 71 70.112 -8.155 0.048 1.00 0.00 C ATOM 1028 O GLY X 71 71.228 -7.637 0.237 1.00 0.00 O ATOM 0 H GLY X 71 70.868 -10.792 0.604 1.00 0.00 H new ATOM 0 HA2 GLY X 71 70.101 -9.253 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.008 -9.886 -0.581 1.00 0.00 H new ATOM 1032 N PRO X 72 68.976 -7.628 0.568 1.00 0.00 N ATOM 1033 CA PRO X 72 68.923 -6.333 1.249 1.00 0.00 C ATOM 1034 C PRO X 72 69.830 -6.251 2.465 1.00 0.00 C ATOM 1035 O PRO X 72 70.486 -5.271 2.689 1.00 0.00 O ATOM 1036 CB PRO X 72 67.466 -6.166 1.677 1.00 0.00 C ATOM 1037 CG PRO X 72 66.815 -7.480 1.457 1.00 0.00 C ATOM 1038 CD PRO X 72 67.666 -8.267 0.509 1.00 0.00 C ATOM 0 HA PRO X 72 69.272 -5.548 0.579 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.400 -5.870 2.724 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.976 -5.387 1.093 1.00 0.00 H new ATOM 0 HG2 PRO X 72 66.704 -8.013 2.401 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.814 -7.345 1.048 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.723 -9.315 0.805 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.259 -8.243 -0.502 1.00 0.00 H new ATOM 1046 N GLU X 73 69.905 -7.312 3.198 1.00 0.00 N ATOM 1047 CA GLU X 73 70.684 -7.379 4.429 1.00 0.00 C ATOM 1048 C GLU X 73 72.133 -7.718 4.108 1.00 0.00 C ATOM 1049 O GLU X 73 72.961 -7.885 5.011 1.00 0.00 O ATOM 1050 CB GLU X 73 70.056 -8.420 5.330 1.00 0.00 C ATOM 1051 CG GLU X 73 68.562 -8.214 5.463 1.00 0.00 C ATOM 1052 CD GLU X 73 67.836 -9.408 5.994 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.078 -10.519 5.500 1.00 0.00 O ATOM 1054 OE2 GLU X 73 66.913 -9.246 6.795 1.00 0.00 O ATOM 0 H GLU X 73 69.424 -8.182 2.970 1.00 0.00 H new ATOM 0 HA GLU X 73 70.681 -6.417 4.941 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.252 -9.415 4.930 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.519 -8.376 6.316 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.378 -7.365 6.122 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.152 -7.954 4.487 1.00 0.00 H new ATOM 1061 N GLY X 74 72.434 -7.852 2.849 1.00 0.00 N ATOM 1062 CA GLY X 74 73.788 -8.055 2.475 1.00 0.00 C ATOM 1063 C GLY X 74 74.381 -6.865 1.793 1.00 0.00 C ATOM 1064 O GLY X 74 75.567 -6.549 2.009 1.00 0.00 O ATOM 0 H GLY X 74 71.765 -7.824 2.079 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.375 -8.290 3.363 1.00 0.00 H new ATOM 0 HA3 GLY X 74 73.852 -8.918 1.813 1.00 0.00 H new ATOM 1068 N ILE X 75 73.581 -6.184 0.981 1.00 0.00 N ATOM 1069 CA ILE X 75 74.011 -4.919 0.384 1.00 0.00 C ATOM 1070 C ILE X 75 74.311 -3.918 1.449 1.00 0.00 C ATOM 1071 O ILE X 75 75.222 -3.135 1.303 1.00 0.00 O ATOM 1072 CB ILE X 75 72.993 -4.296 -0.589 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.571 -4.415 -0.029 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.143 -4.873 -1.961 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.478 -3.757 -0.827 1.00 0.00 C ATOM 0 H ILE X 75 72.640 -6.480 0.721 1.00 0.00 H new ATOM 0 HA ILE X 75 74.901 -5.168 -0.194 1.00 0.00 H new ATOM 0 HB ILE X 75 73.197 -3.230 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.331 -5.474 0.070 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.563 -3.991 0.975 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.413 -4.417 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.149 -4.674 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.977 -5.950 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.521 -3.911 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.678 -2.688 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.442 -4.194 -1.825 1.00 0.00 H new ATOM 1087 N VAL X 76 73.556 -3.973 2.546 1.00 0.00 N ATOM 1088 CA VAL X 76 73.731 -3.101 3.632 1.00 0.00 C ATOM 1089 C VAL X 76 75.141 -3.146 4.194 1.00 0.00 C ATOM 1090 O VAL X 76 75.728 -2.114 4.521 1.00 0.00 O ATOM 1091 CB VAL X 76 72.702 -3.350 4.718 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.332 -2.955 4.304 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.729 -4.741 5.284 1.00 0.00 C ATOM 0 H VAL X 76 72.802 -4.648 2.675 1.00 0.00 H new ATOM 0 HA VAL X 76 73.576 -2.094 3.246 1.00 0.00 H new ATOM 0 HB VAL X 76 73.001 -2.694 5.535 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.634 -3.154 5.118 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.317 -1.892 4.065 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.038 -3.529 3.425 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.963 -4.836 6.054 1.00 0.00 H new ATOM 0 HG22 VAL X 76 72.535 -5.461 4.489 1.00 0.00 H new ATOM 0 HG23 VAL X 76 73.708 -4.937 5.721 1.00 0.00 H new ATOM 1103 N LYS X 77 75.693 -4.325 4.252 1.00 0.00 N ATOM 1104 CA LYS X 77 77.027 -4.497 4.712 1.00 0.00 C ATOM 1105 C LYS X 77 78.016 -3.894 3.699 1.00 0.00 C ATOM 1106 O LYS X 77 78.952 -3.223 4.086 1.00 0.00 O ATOM 1107 CB LYS X 77 77.307 -5.961 4.965 1.00 0.00 C ATOM 1108 CG LYS X 77 78.603 -6.223 5.704 1.00 0.00 C ATOM 1109 CD LYS X 77 78.813 -7.705 5.920 1.00 0.00 C ATOM 1110 CE LYS X 77 77.736 -8.342 6.810 1.00 0.00 C ATOM 1111 NZ LYS X 77 77.659 -7.750 8.167 1.00 0.00 N ATOM 0 H LYS X 77 75.224 -5.189 3.980 1.00 0.00 H new ATOM 0 HA LYS X 77 77.155 -3.969 5.657 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.482 -6.384 5.538 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.333 -6.485 4.010 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.439 -5.812 5.137 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.588 -5.710 6.666 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.822 -8.209 4.954 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.792 -7.865 6.373 1.00 0.00 H new ATOM 0 HE2 LYS X 77 76.767 -8.239 6.323 1.00 0.00 H new ATOM 0 HE3 LYS X 77 77.936 -9.410 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 76.985 -8.292 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 78.598 -7.779 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 77.340 -6.763 8.097 1.00 0.00 H new ATOM 1125 N GLU X 78 77.755 -4.062 2.397 1.00 0.00 N ATOM 1126 CA GLU X 78 78.644 -3.480 1.378 1.00 0.00 C ATOM 1127 C GLU X 78 78.546 -1.950 1.439 1.00 0.00 C ATOM 1128 O GLU X 78 79.529 -1.217 1.220 1.00 0.00 O ATOM 1129 CB GLU X 78 78.334 -4.013 -0.052 1.00 0.00 C ATOM 1130 CG GLU X 78 79.399 -3.616 -1.070 1.00 0.00 C ATOM 1131 CD GLU X 78 79.241 -4.303 -2.397 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.449 -5.534 -2.460 1.00 0.00 O ATOM 1133 OE2 GLU X 78 78.969 -3.636 -3.413 1.00 0.00 O ATOM 0 H GLU X 78 76.958 -4.581 2.028 1.00 0.00 H new ATOM 0 HA GLU X 78 79.667 -3.786 1.598 1.00 0.00 H new ATOM 0 HB2 GLU X 78 78.253 -5.100 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.366 -3.631 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU X 78 79.363 -2.537 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU X 78 80.384 -3.848 -0.664 1.00 0.00 H new ATOM 1140 N ILE X 79 77.369 -1.488 1.793 1.00 0.00 N ATOM 1141 CA ILE X 79 77.100 -0.096 1.947 1.00 0.00 C ATOM 1142 C ILE X 79 77.852 0.500 3.131 1.00 0.00 C ATOM 1143 O ILE X 79 78.495 1.552 2.996 1.00 0.00 O ATOM 1144 CB ILE X 79 75.582 0.164 2.092 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.902 -0.133 0.771 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.282 1.595 2.553 1.00 0.00 C ATOM 1147 CD1 ILE X 79 73.416 -0.071 0.819 1.00 0.00 C ATOM 0 H ILE X 79 76.565 -2.087 1.983 1.00 0.00 H new ATOM 0 HA ILE X 79 77.455 0.398 1.043 1.00 0.00 H new ATOM 0 HB ILE X 79 75.191 -0.498 2.865 1.00 0.00 H new ATOM 0 HG12 ILE X 79 75.260 0.576 0.024 1.00 0.00 H new ATOM 0 HG13 ILE X 79 75.202 -1.126 0.437 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.204 1.731 2.641 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.750 1.771 3.522 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.679 2.303 1.825 1.00 0.00 H new ATOM 0 HD11 ILE X 79 73.010 -0.296 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE X 79 73.045 -0.800 1.539 1.00 0.00 H new ATOM 0 HD13 ILE X 79 73.103 0.929 1.120 1.00 0.00 H new ATOM 1159 N LYS X 80 77.816 -0.173 4.258 1.00 0.00 N ATOM 1160 CA LYS X 80 78.436 0.345 5.459 1.00 0.00 C ATOM 1161 C LYS X 80 79.960 0.381 5.321 1.00 0.00 C ATOM 1162 O LYS X 80 80.609 1.327 5.762 1.00 0.00 O ATOM 1163 CB LYS X 80 78.003 -0.455 6.700 1.00 0.00 C ATOM 1164 CG LYS X 80 78.565 -1.860 6.790 1.00 0.00 C ATOM 1165 CD LYS X 80 77.925 -2.661 7.905 1.00 0.00 C ATOM 1166 CE LYS X 80 78.163 -2.057 9.281 1.00 0.00 C ATOM 1167 NZ LYS X 80 79.596 -2.006 9.652 1.00 0.00 N ATOM 0 H LYS X 80 77.364 -1.081 4.370 1.00 0.00 H new ATOM 0 HA LYS X 80 78.093 1.371 5.595 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.302 0.097 7.591 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.915 -0.515 6.713 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.410 -2.373 5.841 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.642 -1.809 6.953 1.00 0.00 H new ATOM 0 HD2 LYS X 80 76.852 -2.731 7.725 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.318 -3.677 7.887 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.751 -1.048 9.305 1.00 0.00 H new ATOM 0 HE3 LYS X 80 77.621 -2.640 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 79.689 -1.681 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.012 -2.955 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.095 -1.347 9.021 1.00 0.00 H new ATOM 1181 N GLU X 81 80.515 -0.616 4.643 1.00 0.00 N ATOM 1182 CA GLU X 81 81.954 -0.715 4.496 1.00 0.00 C ATOM 1183 C GLU X 81 82.507 0.366 3.575 1.00 0.00 C ATOM 1184 O GLU X 81 83.586 0.918 3.831 1.00 0.00 O ATOM 1185 CB GLU X 81 82.359 -2.102 4.036 1.00 0.00 C ATOM 1186 CG GLU X 81 81.856 -3.193 4.963 1.00 0.00 C ATOM 1187 CD GLU X 81 82.354 -4.555 4.600 1.00 0.00 C ATOM 1188 OE1 GLU X 81 81.981 -5.087 3.538 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.134 -5.127 5.383 1.00 0.00 O ATOM 0 H GLU X 81 79.989 -1.363 4.189 1.00 0.00 H new ATOM 0 HA GLU X 81 82.396 -0.548 5.478 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.971 -2.276 3.032 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.446 -2.157 3.972 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.162 -2.962 5.983 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.766 -3.197 4.950 1.00 0.00 H new ATOM 1196 N TRP X 82 81.754 0.692 2.534 1.00 0.00 N ATOM 1197 CA TRP X 82 82.141 1.728 1.593 1.00 0.00 C ATOM 1198 C TRP X 82 82.118 3.070 2.316 1.00 0.00 C ATOM 1199 O TRP X 82 83.002 3.911 2.149 1.00 0.00 O ATOM 1200 CB TRP X 82 81.130 1.751 0.455 1.00 0.00 C ATOM 1201 CG TRP X 82 81.540 2.546 -0.749 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.166 2.076 -1.866 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.333 3.940 -0.969 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.348 3.094 -2.763 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.849 4.246 -2.237 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.762 4.950 -0.217 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.803 5.528 -2.766 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.717 6.211 -0.731 1.00 0.00 C ATOM 1209 CH2 TRP X 82 81.232 6.500 -1.999 1.00 0.00 C ATOM 0 H TRP X 82 80.862 0.247 2.320 1.00 0.00 H new ATOM 0 HA TRP X 82 83.139 1.536 1.198 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.935 0.725 0.143 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.190 2.154 0.833 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.473 1.052 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.787 3.004 -3.679 1.00 0.00 H new ATOM 0 HE3 TRP X 82 80.358 4.743 0.763 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.203 5.747 -3.745 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 80.274 7.004 -0.147 1.00 0.00 H new ATOM 0 HH2 TRP X 82 81.176 7.510 -2.377 1.00 0.00 H new ATOM 1220 N ARG X 83 81.094 3.237 3.133 1.00 0.00 N ATOM 1221 CA ARG X 83 80.880 4.440 3.912 1.00 0.00 C ATOM 1222 C ARG X 83 82.031 4.656 4.878 1.00 0.00 C ATOM 1223 O ARG X 83 82.592 5.749 4.939 1.00 0.00 O ATOM 1224 CB ARG X 83 79.575 4.293 4.688 1.00 0.00 C ATOM 1225 CG ARG X 83 78.537 5.368 4.420 1.00 0.00 C ATOM 1226 CD ARG X 83 78.195 5.496 2.942 1.00 0.00 C ATOM 1227 NE ARG X 83 77.956 4.198 2.311 1.00 0.00 N ATOM 1228 CZ ARG X 83 77.725 4.010 1.021 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.448 5.031 0.237 1.00 0.00 N ATOM 1230 NH2 ARG X 83 77.756 2.782 0.535 1.00 0.00 N ATOM 0 H ARG X 83 80.376 2.527 3.275 1.00 0.00 H new ATOM 0 HA ARG X 83 80.825 5.301 3.245 1.00 0.00 H new ATOM 0 HB2 ARG X 83 79.138 3.323 4.452 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.803 4.289 5.754 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.630 5.140 4.981 1.00 0.00 H new ATOM 0 HG3 ARG X 83 78.907 6.325 4.788 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.309 6.120 2.830 1.00 0.00 H new ATOM 0 HD3 ARG X 83 79.010 6.003 2.426 1.00 0.00 H new ATOM 0 HE ARG X 83 77.968 3.374 2.912 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.410 5.975 0.623 1.00 0.00 H new ATOM 0 HH12 ARG X 83 77.271 4.878 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG X 83 77.956 1.994 1.152 1.00 0.00 H new ATOM 0 HH22 ARG X 83 77.580 2.621 -0.457 1.00 0.00 H new ATOM 1244 N ALA X 84 82.416 3.590 5.566 1.00 0.00 N ATOM 1245 CA ALA X 84 83.506 3.628 6.533 1.00 0.00 C ATOM 1246 C ALA X 84 84.836 3.943 5.863 1.00 0.00 C ATOM 1247 O ALA X 84 85.652 4.689 6.405 1.00 0.00 O ATOM 1248 CB ALA X 84 83.586 2.312 7.291 1.00 0.00 C ATOM 0 H ALA X 84 81.981 2.672 5.470 1.00 0.00 H new ATOM 0 HA ALA X 84 83.297 4.429 7.242 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.405 2.355 8.010 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.648 2.139 7.819 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.763 1.498 6.588 1.00 0.00 H new ATOM 1254 N ALA X 85 85.042 3.391 4.679 1.00 0.00 N ATOM 1255 CA ALA X 85 86.267 3.622 3.935 1.00 0.00 C ATOM 1256 C ALA X 85 86.334 5.060 3.433 1.00 0.00 C ATOM 1257 O ALA X 85 87.387 5.706 3.493 1.00 0.00 O ATOM 1258 CB ALA X 85 86.375 2.643 2.776 1.00 0.00 C ATOM 0 H ALA X 85 84.374 2.778 4.212 1.00 0.00 H new ATOM 0 HA ALA X 85 87.111 3.459 4.605 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.299 2.829 2.228 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.380 1.623 3.161 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.524 2.775 2.108 1.00 0.00 H new ATOM 1264 N ASN X 86 85.204 5.559 2.955 1.00 0.00 N ATOM 1265 CA ASN X 86 85.112 6.922 2.431 1.00 0.00 C ATOM 1266 C ASN X 86 85.274 7.940 3.558 1.00 0.00 C ATOM 1267 O ASN X 86 86.074 8.872 3.465 1.00 0.00 O ATOM 1268 CB ASN X 86 83.750 7.157 1.753 1.00 0.00 C ATOM 1269 CG ASN X 86 83.667 8.506 1.036 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.408 9.529 1.651 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.758 8.497 -0.267 1.00 0.00 N ATOM 0 H ASN X 86 84.328 5.038 2.917 1.00 0.00 H new ATOM 0 HA ASN X 86 85.910 7.047 1.700 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.564 6.358 1.035 1.00 0.00 H new ATOM 0 HB3 ASN X 86 82.962 7.101 2.504 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.612 9.358 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.976 7.629 -0.757 1.00 0.00 H new ATOM 1278 N GLY X 87 84.539 7.724 4.626 1.00 0.00 N ATOM 1279 CA GLY X 87 84.516 8.658 5.730 1.00 0.00 C ATOM 1280 C GLY X 87 83.131 9.237 5.919 1.00 0.00 C ATOM 1281 O GLY X 87 82.955 10.300 6.515 1.00 0.00 O ATOM 0 H GLY X 87 83.946 6.904 4.754 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.832 8.155 6.644 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.229 9.462 5.546 1.00 0.00 H new ATOM 1285 N LYS X 88 82.152 8.542 5.398 1.00 0.00 N ATOM 1286 CA LYS X 88 80.797 8.915 5.473 1.00 0.00 C ATOM 1287 C LYS X 88 80.132 8.122 6.580 1.00 0.00 C ATOM 1288 O LYS X 88 80.569 7.007 6.880 1.00 0.00 O ATOM 1289 CB LYS X 88 80.164 8.560 4.155 1.00 0.00 C ATOM 1290 CG LYS X 88 80.558 9.442 3.002 1.00 0.00 C ATOM 1291 CD LYS X 88 79.977 8.928 1.702 1.00 0.00 C ATOM 1292 CE LYS X 88 80.394 9.795 0.519 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.883 11.178 0.633 1.00 0.00 N ATOM 0 H LYS X 88 82.303 7.668 4.893 1.00 0.00 H new ATOM 0 HA LYS X 88 80.690 9.980 5.680 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.424 7.530 3.910 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.080 8.597 4.268 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.211 10.459 3.183 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.645 9.485 2.927 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.306 7.902 1.536 1.00 0.00 H new ATOM 0 HD3 LYS X 88 78.889 8.906 1.772 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.482 9.816 0.451 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.026 9.348 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 80.027 11.677 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.868 11.156 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.394 11.676 1.390 1.00 0.00 H new ATOM 1307 N PRO X 89 79.090 8.664 7.209 1.00 0.00 N ATOM 1308 CA PRO X 89 78.383 7.966 8.269 1.00 0.00 C ATOM 1309 C PRO X 89 77.552 6.817 7.725 1.00 0.00 C ATOM 1310 O PRO X 89 76.958 6.915 6.645 1.00 0.00 O ATOM 1311 CB PRO X 89 77.481 9.039 8.880 1.00 0.00 C ATOM 1312 CG PRO X 89 77.266 10.023 7.785 1.00 0.00 C ATOM 1313 CD PRO X 89 78.515 10.001 6.948 1.00 0.00 C ATOM 0 HA PRO X 89 79.066 7.519 8.992 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.537 8.615 9.222 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.952 9.506 9.745 1.00 0.00 H new ATOM 0 HG2 PRO X 89 76.393 9.757 7.189 1.00 0.00 H new ATOM 0 HG3 PRO X 89 77.085 11.020 8.188 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.291 10.141 5.891 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.203 10.796 7.235 1.00 0.00 H new ATOM 1321 N GLY X 90 77.535 5.732 8.447 1.00 0.00 N ATOM 1322 CA GLY X 90 76.763 4.605 8.040 1.00 0.00 C ATOM 1323 C GLY X 90 75.423 4.606 8.718 1.00 0.00 C ATOM 1324 O GLY X 90 74.761 5.646 8.802 1.00 0.00 O ATOM 0 H GLY X 90 78.049 5.610 9.320 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.629 4.621 6.958 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.297 3.686 8.281 1.00 0.00 H new ATOM 1328 N PHE X 91 75.058 3.492 9.271 1.00 0.00 N ATOM 1329 CA PHE X 91 73.760 3.344 9.896 1.00 0.00 C ATOM 1330 C PHE X 91 73.901 3.651 11.365 1.00 0.00 C ATOM 1331 O PHE X 91 75.024 3.617 11.907 1.00 0.00 O ATOM 1332 CB PHE X 91 73.247 1.908 9.720 1.00 0.00 C ATOM 1333 CG PHE X 91 73.487 1.363 8.351 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.998 2.011 7.238 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.230 0.210 8.179 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.248 1.523 5.983 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.474 -0.285 6.922 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.987 0.374 5.822 1.00 0.00 C ATOM 0 H PHE X 91 75.641 2.656 9.308 1.00 0.00 H new ATOM 0 HA PHE X 91 73.049 4.027 9.431 1.00 0.00 H new ATOM 0 HB2 PHE X 91 73.733 1.263 10.452 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.178 1.882 9.933 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.413 2.911 7.356 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.623 -0.307 9.042 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.864 2.042 5.117 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.048 -1.191 6.799 1.00 0.00 H new ATOM 0 HZ PHE X 91 74.183 -0.009 4.831 1.00 0.00 H new ATOM 1348 N LYS X 92 72.826 3.973 12.008 1.00 0.00 N ATOM 1349 CA LYS X 92 72.852 4.227 13.375 1.00 0.00 C ATOM 1350 C LYS X 92 72.508 2.956 14.110 1.00 0.00 C ATOM 1351 O LYS X 92 72.122 1.951 13.507 1.00 0.00 O ATOM 1352 CB LYS X 92 71.870 5.330 13.744 1.00 0.00 C ATOM 1353 CG LYS X 92 70.393 4.967 13.702 1.00 0.00 C ATOM 1354 CD LYS X 92 69.527 6.077 14.314 1.00 0.00 C ATOM 1355 CE LYS X 92 69.705 6.205 15.825 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.920 7.339 16.381 1.00 0.00 N ATOM 0 H LYS X 92 71.906 4.063 11.577 1.00 0.00 H new ATOM 0 HA LYS X 92 73.849 4.563 13.658 1.00 0.00 H new ATOM 0 HB2 LYS X 92 72.108 5.676 14.750 1.00 0.00 H new ATOM 0 HB3 LYS X 92 72.034 6.172 13.071 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.089 4.793 12.670 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.230 4.035 14.244 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.777 7.027 13.842 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.479 5.877 14.092 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.395 5.278 16.307 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.761 6.347 16.056 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 69.068 7.392 17.409 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 69.233 8.227 15.940 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.910 7.192 16.183 1.00 0.00 H new ATOM 1370 N GLN X 93 72.632 3.001 15.375 1.00 0.00 N ATOM 1371 CA GLN X 93 72.352 1.904 16.189 1.00 0.00 C ATOM 1372 C GLN X 93 70.960 2.014 16.722 1.00 0.00 C ATOM 1373 O GLN X 93 70.510 3.093 17.128 1.00 0.00 O ATOM 1374 CB GLN X 93 73.348 1.828 17.318 1.00 0.00 C ATOM 1375 CG GLN X 93 74.707 1.208 16.950 1.00 0.00 C ATOM 1376 CD GLN X 93 75.549 1.994 15.939 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.266 1.402 15.141 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.530 3.304 16.004 1.00 0.00 N ATOM 0 H GLN X 93 72.941 3.830 15.883 1.00 0.00 H new ATOM 0 HA GLN X 93 72.431 0.990 15.600 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.517 2.834 17.701 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.910 1.248 18.130 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.289 1.088 17.864 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.533 0.209 16.550 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.924 3.772 16.677 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.121 3.854 15.381 1.00 0.00 H new ATOM 1387 N GLY X 94 70.282 0.941 16.681 1.00 0.00 N ATOM 1388 CA GLY X 94 68.966 0.882 17.178 1.00 0.00 C ATOM 1389 C GLY X 94 68.188 -0.191 16.509 1.00 0.00 C ATOM 1390 O GLY X 94 66.958 -0.073 16.423 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.808 -1.164 16.033 1.00 0.00 O ATOM 0 H GLY X 94 70.628 0.062 16.296 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.988 0.703 18.253 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.473 1.842 17.025 1.00 0.00 H new TER 1395 GLY X 94