USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 811 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 40 TYR OH : rot -15:sc= -2.92! USER MOD Set 1.2: A 61 MET CE :methyl 147:sc= -2.78! (180deg=-3.88!) USER MOD Set 2.1: A 35 THR OG1 : rot 137:sc= 0.34 USER MOD Set 2.2: A 56 GLN : amide:sc= -0.336 K(o=0.46,f=2.3) USER MOD Set 2.3: A 85 TYR OH : rot 30:sc= 0.453 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.00603 USER MOD Set 3.2: A 59 HIS : no HD1:sc= -1.85 X(o=-1.8,f=-1.8) USER MOD Set 4.1: A 4 MET CE :methyl -130:sc= -5.24! (180deg=-1.59) USER MOD Set 4.2: A 27 MET CE :methyl 141:sc= -6.19! (180deg=-1) USER MOD Set 4.3: A 34 HIS : no HE2:sc= -10.6! C(o=-25!,f=-29!) USER MOD Set 4.4: A 80 THR OG1 : rot -160:sc= -3.42! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= -0.389 (180deg=-1.68!) USER MOD Single : A 3 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.4) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.66 K(o=-4.7,f=-8!) USER MOD Single : A 12 THR OG1 : rot -12:sc= 0.856 USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= 0.0379 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 90:sc= 1.26 USER MOD Single : A 25 MET CE :methyl 158:sc= -0.0699 (180deg=-0.477) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.27) USER MOD Single : A 39 GLN : amide:sc= 0.898 K(o=0.9,f=-4.7!) USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= 1.02 (180deg=0.398) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00617 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 57 ASN : amide:sc= -2.54! C(o=-2.5!,f=-1.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -57:sc= 0.238 USER MOD Single : A 70 THR OG1 : rot 1:sc= 0.342 USER MOD Single : A 72 TYR OH : rot -130:sc= -2.58! USER MOD Single : A 81 SER OG : rot 160:sc= 0 USER MOD Single : A 83 THR OG1 : rot -80:sc= 0.15 USER MOD Single : A 86 ASN : amide:sc= -2.27! K(o=-2.3!,f=-1.1) USER MOD Single : A 90 SER OG : rot -86:sc= -2.38 USER MOD Single : A 93 SER OG : rot 130:sc= -0.0873 USER MOD Single : A 97 SER OG : rot -5:sc= 0.444! USER MOD Single : A 100 THR OG1 : rot 163:sc= -0.205 USER MOD Single : A 102 SER OG : rot -51:sc= 0.091 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.373 6.768 -4.754 1.00 0.00 N ATOM 2 CA MET A 1 10.281 5.421 -5.375 1.00 0.00 C ATOM 3 C MET A 1 9.623 5.492 -6.748 1.00 0.00 C ATOM 4 O MET A 1 8.578 4.884 -6.978 1.00 0.00 O ATOM 5 CB MET A 1 9.474 4.510 -4.447 1.00 0.00 C ATOM 6 CG MET A 1 9.981 4.497 -3.013 1.00 0.00 C ATOM 7 SD MET A 1 8.687 4.106 -1.821 1.00 0.00 S ATOM 8 CE MET A 1 9.074 2.398 -1.447 1.00 0.00 C ATOM 0 H1 MET A 1 11.289 6.866 -4.271 1.00 0.00 H new ATOM 0 H2 MET A 1 10.291 7.497 -5.491 1.00 0.00 H new ATOM 0 H3 MET A 1 9.604 6.885 -4.064 1.00 0.00 H new ATOM 0 HA MET A 1 11.285 5.021 -5.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.432 4.831 -4.452 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.496 3.494 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.785 3.767 -2.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.407 5.471 -2.774 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.358 2.013 -0.720 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.019 1.804 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.080 2.335 -1.033 1.00 0.00 H new ATOM 20 N ILE A 2 10.241 6.240 -7.657 1.00 0.00 N ATOM 21 CA ILE A 2 9.715 6.394 -9.008 1.00 0.00 C ATOM 22 C ILE A 2 10.662 7.220 -9.871 1.00 0.00 C ATOM 23 O ILE A 2 11.373 8.091 -9.369 1.00 0.00 O ATOM 24 CB ILE A 2 8.323 7.060 -8.995 1.00 0.00 C ATOM 25 CG1 ILE A 2 7.800 7.256 -10.431 1.00 0.00 C ATOM 26 CG2 ILE A 2 8.371 8.377 -8.226 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.170 8.582 -11.075 1.00 0.00 C ATOM 0 H ILE A 2 11.107 6.749 -7.482 1.00 0.00 H new ATOM 0 HA ILE A 2 9.623 5.394 -9.433 1.00 0.00 H new ATOM 0 HB ILE A 2 7.623 6.402 -8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.182 6.448 -11.054 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.714 7.165 -10.421 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.382 8.835 -8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.683 8.188 -7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.082 9.051 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.757 8.625 -12.083 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.764 9.401 -10.481 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.255 8.673 -11.124 1.00 0.00 H new ATOM 39 N GLN A 3 10.660 6.947 -11.170 1.00 0.00 N ATOM 40 CA GLN A 3 11.516 7.672 -12.103 1.00 0.00 C ATOM 41 C GLN A 3 11.330 9.175 -11.940 1.00 0.00 C ATOM 42 O GLN A 3 12.109 9.840 -11.257 1.00 0.00 O ATOM 43 CB GLN A 3 11.210 7.252 -13.544 1.00 0.00 C ATOM 44 CG GLN A 3 11.917 8.099 -14.589 1.00 0.00 C ATOM 45 CD GLN A 3 11.550 7.705 -16.007 1.00 0.00 C ATOM 46 OE1 GLN A 3 10.695 6.847 -16.225 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.199 8.333 -16.980 1.00 0.00 N ATOM 0 H GLN A 3 10.077 6.230 -11.602 1.00 0.00 H new ATOM 0 HA GLN A 3 12.554 7.426 -11.881 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.498 6.209 -13.678 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.134 7.309 -13.709 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.666 9.148 -14.431 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.995 8.006 -14.458 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.900 9.038 -16.753 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.996 8.111 -17.955 1.00 0.00 H new ATOM 56 N MET A 4 10.288 9.698 -12.565 1.00 0.00 N ATOM 57 CA MET A 4 9.980 11.122 -12.493 1.00 0.00 C ATOM 58 C MET A 4 8.604 11.349 -11.885 1.00 0.00 C ATOM 59 O MET A 4 7.585 10.974 -12.464 1.00 0.00 O ATOM 60 CB MET A 4 10.059 11.753 -13.880 1.00 0.00 C ATOM 61 CG MET A 4 9.505 13.171 -13.955 1.00 0.00 C ATOM 62 SD MET A 4 10.581 14.386 -13.167 1.00 0.00 S ATOM 63 CE MET A 4 9.677 15.897 -13.499 1.00 0.00 C ATOM 0 H MET A 4 9.636 9.156 -13.132 1.00 0.00 H new ATOM 0 HA MET A 4 10.719 11.598 -11.849 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.100 11.764 -14.203 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.514 11.124 -14.584 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.360 13.445 -15.000 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.525 13.199 -13.480 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.352 16.639 -13.925 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.872 15.692 -14.205 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.256 16.281 -12.570 1.00 0.00 H new ATOM 73 N ALA A 5 8.591 11.972 -10.716 1.00 0.00 N ATOM 74 CA ALA A 5 7.351 12.264 -10.009 1.00 0.00 C ATOM 75 C ALA A 5 6.412 13.097 -10.877 1.00 0.00 C ATOM 76 O ALA A 5 6.647 14.287 -11.091 1.00 0.00 O ATOM 77 CB ALA A 5 7.653 12.993 -8.708 1.00 0.00 C ATOM 0 H ALA A 5 9.432 12.288 -10.233 1.00 0.00 H new ATOM 0 HA ALA A 5 6.854 11.321 -9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.720 13.207 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.286 12.367 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.170 13.928 -8.926 1.00 0.00 H new ATOM 83 N PRO A 6 5.336 12.483 -11.396 1.00 0.00 N ATOM 84 CA PRO A 6 4.369 13.179 -12.250 1.00 0.00 C ATOM 85 C PRO A 6 3.711 14.359 -11.542 1.00 0.00 C ATOM 86 O PRO A 6 3.769 14.469 -10.317 1.00 0.00 O ATOM 87 CB PRO A 6 3.328 12.103 -12.578 1.00 0.00 C ATOM 88 CG PRO A 6 4.028 10.810 -12.337 1.00 0.00 C ATOM 89 CD PRO A 6 4.977 11.070 -11.204 1.00 0.00 C ATOM 0 HA PRO A 6 4.847 13.606 -13.132 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.446 12.200 -11.944 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.989 12.183 -13.611 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.319 10.022 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.562 10.481 -13.228 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.506 10.900 -10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.851 10.421 -11.252 1.00 0.00 H new ATOM 97 N PRO A 7 3.079 15.265 -12.308 1.00 0.00 N ATOM 98 CA PRO A 7 2.413 16.442 -11.757 1.00 0.00 C ATOM 99 C PRO A 7 1.033 16.115 -11.194 1.00 0.00 C ATOM 100 O PRO A 7 0.691 14.949 -10.998 1.00 0.00 O ATOM 101 CB PRO A 7 2.288 17.393 -12.961 1.00 0.00 C ATOM 102 CG PRO A 7 2.898 16.680 -14.130 1.00 0.00 C ATOM 103 CD PRO A 7 2.961 15.224 -13.768 1.00 0.00 C ATOM 0 HA PRO A 7 2.972 16.867 -10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.244 17.636 -13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.804 18.334 -12.768 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.299 16.829 -15.029 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.894 17.069 -14.343 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.068 14.687 -14.088 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.814 14.727 -14.230 1.00 0.00 H new ATOM 111 N SER A 8 0.244 17.153 -10.939 1.00 0.00 N ATOM 112 CA SER A 8 -1.101 16.981 -10.402 1.00 0.00 C ATOM 113 C SER A 8 -2.148 17.250 -11.478 1.00 0.00 C ATOM 114 O SER A 8 -2.503 18.400 -11.739 1.00 0.00 O ATOM 115 CB SER A 8 -1.318 17.915 -9.210 1.00 0.00 C ATOM 116 OG SER A 8 -0.596 17.470 -8.075 1.00 0.00 O ATOM 0 H SER A 8 0.513 18.124 -11.096 1.00 0.00 H new ATOM 0 HA SER A 8 -1.208 15.950 -10.066 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.002 18.925 -9.473 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.381 17.965 -8.972 1.00 0.00 H new ATOM 0 HG SER A 8 -0.750 18.085 -7.328 1.00 0.00 H new ATOM 122 N LEU A 9 -2.634 16.183 -12.105 1.00 0.00 N ATOM 123 CA LEU A 9 -3.633 16.308 -13.161 1.00 0.00 C ATOM 124 C LEU A 9 -5.031 16.506 -12.586 1.00 0.00 C ATOM 125 O LEU A 9 -5.458 15.776 -11.690 1.00 0.00 O ATOM 126 CB LEU A 9 -3.612 15.067 -14.058 1.00 0.00 C ATOM 127 CG LEU A 9 -4.334 15.224 -15.399 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.986 16.559 -16.039 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.982 14.075 -16.331 1.00 0.00 C ATOM 0 H LEU A 9 -2.353 15.224 -11.901 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.382 17.188 -13.753 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.574 14.795 -14.251 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.064 14.237 -13.515 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.408 15.201 -15.217 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.508 16.653 -16.991 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.290 17.370 -15.377 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.911 16.612 -16.208 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.504 14.203 -17.279 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.906 14.066 -16.507 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.283 13.132 -15.875 1.00 0.00 H new ATOM 141 N ASN A 10 -5.739 17.500 -13.114 1.00 0.00 N ATOM 142 CA ASN A 10 -7.096 17.805 -12.668 1.00 0.00 C ATOM 143 C ASN A 10 -7.911 18.414 -13.804 1.00 0.00 C ATOM 144 O ASN A 10 -7.532 19.436 -14.377 1.00 0.00 O ATOM 145 CB ASN A 10 -7.075 18.758 -11.467 1.00 0.00 C ATOM 146 CG ASN A 10 -5.887 19.703 -11.485 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.739 19.277 -11.369 1.00 0.00 O ATOM 148 ND2 ASN A 10 -6.161 20.994 -11.631 1.00 0.00 N ATOM 0 H ASN A 10 -5.394 18.111 -13.855 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.566 16.871 -12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.996 19.340 -11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.055 18.174 -10.547 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.404 21.677 -11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.129 21.303 -11.724 1.00 0.00 H new ATOM 155 N VAL A 11 -9.027 17.773 -14.129 1.00 0.00 N ATOM 156 CA VAL A 11 -9.896 18.238 -15.203 1.00 0.00 C ATOM 157 C VAL A 11 -10.791 19.384 -14.742 1.00 0.00 C ATOM 158 O VAL A 11 -11.493 19.275 -13.737 1.00 0.00 O ATOM 159 CB VAL A 11 -10.776 17.091 -15.737 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.706 17.583 -16.839 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.909 15.947 -16.237 1.00 0.00 C ATOM 0 H VAL A 11 -9.352 16.927 -13.662 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.248 18.598 -16.002 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.393 16.725 -14.916 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.316 16.754 -17.198 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.354 18.366 -16.445 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.115 17.982 -17.663 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.545 15.145 -16.611 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.264 16.303 -17.041 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.295 15.571 -15.419 1.00 0.00 H new ATOM 171 N THR A 12 -10.767 20.481 -15.493 1.00 0.00 N ATOM 172 CA THR A 12 -11.581 21.650 -15.175 1.00 0.00 C ATOM 173 C THR A 12 -12.210 22.216 -16.433 1.00 0.00 C ATOM 174 O THR A 12 -11.521 22.570 -17.390 1.00 0.00 O ATOM 175 CB THR A 12 -10.744 22.721 -14.476 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.122 23.571 -15.424 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.659 22.152 -13.588 1.00 0.00 C ATOM 0 H THR A 12 -10.191 20.585 -16.328 1.00 0.00 H new ATOM 0 HA THR A 12 -12.374 21.336 -14.497 1.00 0.00 H new ATOM 0 HB THR A 12 -11.447 23.272 -13.852 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.206 23.180 -16.319 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.104 22.967 -13.124 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.111 21.533 -12.813 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.980 21.546 -14.187 1.00 0.00 H new ATOM 185 N LYS A 13 -13.528 22.287 -16.418 1.00 0.00 N ATOM 186 CA LYS A 13 -14.280 22.800 -17.559 1.00 0.00 C ATOM 187 C LYS A 13 -14.749 24.231 -17.323 1.00 0.00 C ATOM 188 O LYS A 13 -14.733 24.727 -16.196 1.00 0.00 O ATOM 189 CB LYS A 13 -15.481 21.903 -17.854 1.00 0.00 C ATOM 190 CG LYS A 13 -16.534 21.909 -16.760 1.00 0.00 C ATOM 191 CD LYS A 13 -17.795 21.183 -17.198 1.00 0.00 C ATOM 192 CE LYS A 13 -19.046 21.893 -16.709 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.610 21.248 -15.492 1.00 0.00 N ATOM 0 H LYS A 13 -14.105 21.996 -15.629 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.611 22.800 -18.419 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.940 22.223 -18.789 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.132 20.881 -18.003 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.132 21.435 -15.864 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.778 22.937 -16.494 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.817 21.114 -18.286 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.781 20.163 -16.814 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.811 22.935 -16.492 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.796 21.894 -17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.001 21.977 -14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.365 20.588 -15.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.859 20.728 -14.995 1.00 0.00 H new ATOM 207 N ASP A 14 -15.174 24.885 -18.399 1.00 0.00 N ATOM 208 CA ASP A 14 -15.658 26.258 -18.329 1.00 0.00 C ATOM 209 C ASP A 14 -16.705 26.510 -19.408 1.00 0.00 C ATOM 210 O ASP A 14 -16.733 27.576 -20.026 1.00 0.00 O ATOM 211 CB ASP A 14 -14.499 27.242 -18.490 1.00 0.00 C ATOM 212 CG ASP A 14 -14.749 28.550 -17.766 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.911 28.804 -17.384 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.785 29.321 -17.583 1.00 0.00 O ATOM 0 H ASP A 14 -15.193 24.482 -19.336 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.116 26.409 -17.351 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.584 26.788 -18.109 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.339 27.441 -19.550 1.00 0.00 H new ATOM 219 N GLY A 15 -17.561 25.519 -19.635 1.00 0.00 N ATOM 220 CA GLY A 15 -18.595 25.643 -20.645 1.00 0.00 C ATOM 221 C GLY A 15 -18.514 24.547 -21.686 1.00 0.00 C ATOM 222 O GLY A 15 -18.271 24.814 -22.864 1.00 0.00 O ATOM 0 H GLY A 15 -17.556 24.630 -19.136 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.574 25.614 -20.166 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.508 26.613 -21.134 1.00 0.00 H new ATOM 226 N ASP A 16 -18.711 23.302 -21.252 1.00 0.00 N ATOM 227 CA ASP A 16 -18.654 22.147 -22.148 1.00 0.00 C ATOM 228 C ASP A 16 -17.208 21.746 -22.427 1.00 0.00 C ATOM 229 O ASP A 16 -16.818 20.600 -22.204 1.00 0.00 O ATOM 230 CB ASP A 16 -19.382 22.440 -23.464 1.00 0.00 C ATOM 231 CG ASP A 16 -20.094 21.221 -24.014 1.00 0.00 C ATOM 232 OD1 ASP A 16 -20.665 20.455 -23.211 1.00 0.00 O ATOM 233 OD2 ASP A 16 -20.079 21.031 -25.250 1.00 0.00 O ATOM 0 H ASP A 16 -18.912 23.067 -20.280 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.155 21.316 -21.651 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.106 23.239 -23.305 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.664 22.801 -24.200 1.00 0.00 H new ATOM 238 N SER A 17 -16.415 22.695 -22.915 1.00 0.00 N ATOM 239 CA SER A 17 -15.012 22.440 -23.220 1.00 0.00 C ATOM 240 C SER A 17 -14.238 22.085 -21.954 1.00 0.00 C ATOM 241 O SER A 17 -14.341 22.773 -20.939 1.00 0.00 O ATOM 242 CB SER A 17 -14.385 23.665 -23.888 1.00 0.00 C ATOM 243 OG SER A 17 -12.982 23.694 -23.686 1.00 0.00 O ATOM 0 H SER A 17 -16.721 23.649 -23.108 1.00 0.00 H new ATOM 0 HA SER A 17 -14.961 21.594 -23.906 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.602 23.651 -24.956 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.833 24.573 -23.484 1.00 0.00 H new ATOM 0 HG SER A 17 -12.605 24.485 -24.124 1.00 0.00 H new ATOM 249 N TYR A 18 -13.467 21.004 -22.020 1.00 0.00 N ATOM 250 CA TYR A 18 -12.682 20.557 -20.874 1.00 0.00 C ATOM 251 C TYR A 18 -11.191 20.796 -21.089 1.00 0.00 C ATOM 252 O TYR A 18 -10.718 20.866 -22.224 1.00 0.00 O ATOM 253 CB TYR A 18 -12.938 19.074 -20.606 1.00 0.00 C ATOM 254 CG TYR A 18 -14.314 18.799 -20.048 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.412 18.680 -20.887 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.514 18.668 -18.681 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.673 18.439 -20.381 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.772 18.425 -18.166 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.849 18.313 -19.019 1.00 0.00 C ATOM 260 OH TYR A 18 -18.104 18.071 -18.510 1.00 0.00 O ATOM 0 H TYR A 18 -13.369 20.423 -22.852 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.995 21.141 -20.009 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.811 18.517 -21.534 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.189 18.703 -19.907 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.278 18.778 -21.954 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.673 18.757 -18.010 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.518 18.350 -21.048 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.911 18.323 -17.100 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.054 18.008 -17.533 1.00 0.00 H new ATOM 270 N SER A 19 -10.461 20.912 -19.986 1.00 0.00 N ATOM 271 CA SER A 19 -9.022 21.136 -20.031 1.00 0.00 C ATOM 272 C SER A 19 -8.362 20.586 -18.771 1.00 0.00 C ATOM 273 O SER A 19 -8.889 20.737 -17.669 1.00 0.00 O ATOM 274 CB SER A 19 -8.719 22.628 -20.177 1.00 0.00 C ATOM 275 OG SER A 19 -7.378 22.915 -19.816 1.00 0.00 O ATOM 0 H SER A 19 -10.846 20.854 -19.043 1.00 0.00 H new ATOM 0 HA SER A 19 -8.617 20.612 -20.897 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.896 22.939 -21.207 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.399 23.203 -19.549 1.00 0.00 H new ATOM 0 HG SER A 19 -6.802 22.834 -20.605 1.00 0.00 H new ATOM 281 N LEU A 20 -7.215 19.938 -18.938 1.00 0.00 N ATOM 282 CA LEU A 20 -6.498 19.358 -17.805 1.00 0.00 C ATOM 283 C LEU A 20 -5.492 20.345 -17.226 1.00 0.00 C ATOM 284 O LEU A 20 -4.849 21.095 -17.960 1.00 0.00 O ATOM 285 CB LEU A 20 -5.774 18.065 -18.212 1.00 0.00 C ATOM 286 CG LEU A 20 -6.066 17.547 -19.625 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.315 16.250 -19.879 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.561 17.347 -19.826 1.00 0.00 C ATOM 0 H LEU A 20 -6.762 19.801 -19.842 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.239 19.123 -17.041 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.700 18.230 -18.122 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.038 17.284 -17.499 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.723 18.292 -20.342 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.533 15.895 -20.886 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.244 16.424 -19.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.629 15.499 -19.154 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.746 16.979 -20.835 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.932 16.622 -19.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.077 18.297 -19.685 1.00 0.00 H new ATOM 300 N ARG A 21 -5.353 20.327 -15.905 1.00 0.00 N ATOM 301 CA ARG A 21 -4.417 21.207 -15.220 1.00 0.00 C ATOM 302 C ARG A 21 -3.372 20.388 -14.478 1.00 0.00 C ATOM 303 O ARG A 21 -3.683 19.692 -13.512 1.00 0.00 O ATOM 304 CB ARG A 21 -5.155 22.120 -14.244 1.00 0.00 C ATOM 305 CG ARG A 21 -5.403 23.519 -14.788 1.00 0.00 C ATOM 306 CD ARG A 21 -5.546 24.537 -13.669 1.00 0.00 C ATOM 307 NE ARG A 21 -4.850 25.786 -13.974 1.00 0.00 N ATOM 308 CZ ARG A 21 -5.302 26.688 -14.837 1.00 0.00 C ATOM 309 NH1 ARG A 21 -6.441 26.479 -15.484 1.00 0.00 N ATOM 310 NH2 ARG A 21 -4.617 27.802 -15.059 1.00 0.00 N ATOM 0 H ARG A 21 -5.879 19.710 -15.286 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.918 21.826 -15.966 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.111 21.665 -13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.578 22.195 -13.322 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.579 23.808 -15.440 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.307 23.518 -15.398 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.603 24.743 -13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.150 24.118 -12.744 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.968 25.975 -13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.972 25.624 -15.319 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.786 27.174 -16.146 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.740 27.968 -14.566 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.968 28.493 -15.723 1.00 0.00 H new ATOM 324 N TRP A 22 -2.134 20.469 -14.941 1.00 0.00 N ATOM 325 CA TRP A 22 -1.042 19.727 -14.326 1.00 0.00 C ATOM 326 C TRP A 22 0.141 20.642 -14.029 1.00 0.00 C ATOM 327 O TRP A 22 0.646 21.331 -14.916 1.00 0.00 O ATOM 328 CB TRP A 22 -0.606 18.582 -15.243 1.00 0.00 C ATOM 329 CG TRP A 22 -0.176 19.038 -16.603 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.051 19.519 -16.951 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.968 19.059 -17.799 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.073 19.841 -18.285 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.154 19.567 -18.828 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.285 18.699 -18.100 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.613 19.723 -20.132 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.736 18.855 -19.397 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.906 19.359 -20.394 1.00 0.00 C ATOM 0 H TRP A 22 -1.860 21.041 -15.740 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.397 19.314 -13.382 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.216 18.043 -14.772 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.431 17.877 -15.348 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.886 19.631 -16.275 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.873 20.222 -18.790 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.937 18.307 -17.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.027 20.116 -20.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.752 18.581 -19.641 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.291 19.465 -21.397 1.00 0.00 H new ATOM 348 N GLU A 23 0.581 20.643 -12.775 1.00 0.00 N ATOM 349 CA GLU A 23 1.707 21.472 -12.359 1.00 0.00 C ATOM 350 C GLU A 23 2.809 20.618 -11.743 1.00 0.00 C ATOM 351 O GLU A 23 2.535 19.647 -11.039 1.00 0.00 O ATOM 352 CB GLU A 23 1.248 22.533 -11.357 1.00 0.00 C ATOM 353 CG GLU A 23 0.872 23.858 -12.001 1.00 0.00 C ATOM 354 CD GLU A 23 -0.555 24.271 -11.695 1.00 0.00 C ATOM 355 OE1 GLU A 23 -1.362 23.392 -11.332 1.00 0.00 O ATOM 356 OE2 GLU A 23 -0.862 25.476 -11.817 1.00 0.00 O ATOM 0 H GLU A 23 0.175 20.079 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 23 2.106 21.969 -13.243 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.390 22.151 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.044 22.704 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.554 24.634 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.001 23.783 -13.081 1.00 0.00 H new ATOM 363 N THR A 24 4.057 20.987 -12.015 1.00 0.00 N ATOM 364 CA THR A 24 5.202 20.253 -11.488 1.00 0.00 C ATOM 365 C THR A 24 5.870 21.020 -10.352 1.00 0.00 C ATOM 366 O THR A 24 5.890 22.250 -10.347 1.00 0.00 O ATOM 367 CB THR A 24 6.222 19.990 -12.598 1.00 0.00 C ATOM 368 OG1 THR A 24 6.365 21.129 -13.428 1.00 0.00 O ATOM 369 CG2 THR A 24 5.858 18.819 -13.485 1.00 0.00 C ATOM 0 H THR A 24 4.301 21.789 -12.596 1.00 0.00 H new ATOM 0 HA THR A 24 4.838 19.302 -11.099 1.00 0.00 H new ATOM 0 HB THR A 24 7.153 19.756 -12.082 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.022 20.942 -14.130 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.624 18.690 -14.250 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.790 17.913 -12.882 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.897 19.009 -13.963 1.00 0.00 H new ATOM 377 N MET A 25 6.424 20.281 -9.396 1.00 0.00 N ATOM 378 CA MET A 25 7.105 20.888 -8.259 1.00 0.00 C ATOM 379 C MET A 25 8.036 19.885 -7.585 1.00 0.00 C ATOM 380 O MET A 25 8.332 20.001 -6.395 1.00 0.00 O ATOM 381 CB MET A 25 6.094 21.423 -7.244 1.00 0.00 C ATOM 382 CG MET A 25 4.976 20.445 -6.919 1.00 0.00 C ATOM 383 SD MET A 25 3.509 21.264 -6.266 1.00 0.00 S ATOM 384 CE MET A 25 2.901 22.091 -7.734 1.00 0.00 C ATOM 0 H MET A 25 6.414 19.261 -9.387 1.00 0.00 H new ATOM 0 HA MET A 25 7.701 21.721 -8.633 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.618 21.680 -6.324 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.658 22.344 -7.630 1.00 0.00 H new ATOM 0 HG2 MET A 25 4.709 19.892 -7.819 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.335 19.716 -6.192 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.839 22.305 -7.617 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.446 23.024 -7.878 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.048 21.447 -8.601 1.00 0.00 H new ATOM 394 N LYS A 26 8.502 18.907 -8.354 1.00 0.00 N ATOM 395 CA LYS A 26 9.408 17.893 -7.832 1.00 0.00 C ATOM 396 C LYS A 26 10.829 18.131 -8.334 1.00 0.00 C ATOM 397 O LYS A 26 11.654 17.218 -8.348 1.00 0.00 O ATOM 398 CB LYS A 26 8.936 16.496 -8.237 1.00 0.00 C ATOM 399 CG LYS A 26 7.554 16.147 -7.711 1.00 0.00 C ATOM 400 CD LYS A 26 6.497 16.272 -8.795 1.00 0.00 C ATOM 401 CE LYS A 26 5.262 16.999 -8.288 1.00 0.00 C ATOM 402 NZ LYS A 26 4.523 16.201 -7.271 1.00 0.00 N ATOM 0 H LYS A 26 8.267 18.796 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 26 9.407 17.963 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.931 16.424 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.652 15.759 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.558 15.129 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.303 16.805 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.911 16.808 -9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.217 15.279 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.556 17.955 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.601 17.219 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.688 16.733 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.219 15.299 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.145 16.013 -6.459 1.00 0.00 H new ATOM 416 N MET A 27 11.106 19.365 -8.742 1.00 0.00 N ATOM 417 CA MET A 27 12.425 19.726 -9.241 1.00 0.00 C ATOM 418 C MET A 27 12.820 21.126 -8.788 1.00 0.00 C ATOM 419 O MET A 27 13.973 21.364 -8.429 1.00 0.00 O ATOM 420 CB MET A 27 12.465 19.647 -10.770 1.00 0.00 C ATOM 421 CG MET A 27 11.525 20.624 -11.455 1.00 0.00 C ATOM 422 SD MET A 27 9.789 20.180 -11.256 1.00 0.00 S ATOM 423 CE MET A 27 9.657 18.822 -12.417 1.00 0.00 C ATOM 0 H MET A 27 10.433 20.131 -8.736 1.00 0.00 H new ATOM 0 HA MET A 27 13.139 19.013 -8.829 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.483 19.838 -11.109 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.211 18.633 -11.080 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.688 21.623 -11.050 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.765 20.667 -12.517 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.019 18.045 -11.997 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.224 19.182 -13.350 1.00 0.00 H new ATOM 0 HE3 MET A 27 10.648 18.412 -12.612 1.00 0.00 H new ATOM 433 N ARG A 28 11.867 22.060 -8.811 1.00 0.00 N ATOM 434 CA ARG A 28 12.157 23.428 -8.405 1.00 0.00 C ATOM 435 C ARG A 28 13.281 23.973 -9.257 1.00 0.00 C ATOM 436 O ARG A 28 14.310 24.418 -8.747 1.00 0.00 O ATOM 437 CB ARG A 28 12.578 23.448 -6.950 1.00 0.00 C ATOM 438 CG ARG A 28 11.432 23.212 -5.978 1.00 0.00 C ATOM 439 CD ARG A 28 10.649 24.489 -5.724 1.00 0.00 C ATOM 440 NE ARG A 28 10.723 24.907 -4.327 1.00 0.00 N ATOM 441 CZ ARG A 28 10.097 25.977 -3.846 1.00 0.00 C ATOM 442 NH1 ARG A 28 9.352 26.727 -4.646 1.00 0.00 N ATOM 443 NH2 ARG A 28 10.216 26.295 -2.565 1.00 0.00 N ATOM 0 H ARG A 28 10.904 21.894 -9.102 1.00 0.00 H new ATOM 0 HA ARG A 28 11.265 24.042 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.340 22.685 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.039 24.410 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.765 22.448 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.825 22.831 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.036 25.284 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.606 24.336 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 28 11.285 24.348 -3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.258 26.484 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.872 27.547 -4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.788 25.719 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.736 27.116 -2.197 1.00 0.00 H new ATOM 457 N TYR A 29 13.099 23.877 -10.557 1.00 0.00 N ATOM 458 CA TYR A 29 14.112 24.296 -11.499 1.00 0.00 C ATOM 459 C TYR A 29 13.569 25.301 -12.511 1.00 0.00 C ATOM 460 O TYR A 29 12.455 25.805 -12.368 1.00 0.00 O ATOM 461 CB TYR A 29 14.606 23.042 -12.199 1.00 0.00 C ATOM 462 CG TYR A 29 16.039 22.673 -11.906 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.007 23.641 -11.677 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.418 21.340 -11.856 1.00 0.00 C ATOM 465 CE1 TYR A 29 18.316 23.287 -11.407 1.00 0.00 C ATOM 466 CE2 TYR A 29 17.719 20.976 -11.586 1.00 0.00 C ATOM 467 CZ TYR A 29 18.667 21.952 -11.362 1.00 0.00 C ATOM 468 OH TYR A 29 19.968 21.594 -11.091 1.00 0.00 O ATOM 0 H TYR A 29 12.251 23.509 -10.987 1.00 0.00 H new ATOM 0 HA TYR A 29 14.923 24.803 -10.975 1.00 0.00 H new ATOM 0 HB2 TYR A 29 13.966 22.208 -11.913 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.493 23.176 -13.275 1.00 0.00 H new ATOM 0 HD1 TYR A 29 16.734 24.685 -11.710 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.679 20.572 -12.032 1.00 0.00 H new ATOM 0 HE1 TYR A 29 19.060 24.050 -11.232 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.995 19.932 -11.550 1.00 0.00 H new ATOM 0 HH TYR A 29 20.046 20.617 -11.095 1.00 0.00 H new ATOM 478 N GLU A 30 14.370 25.585 -13.533 1.00 0.00 N ATOM 479 CA GLU A 30 13.986 26.528 -14.577 1.00 0.00 C ATOM 480 C GLU A 30 12.998 25.895 -15.550 1.00 0.00 C ATOM 481 O GLU A 30 12.611 24.737 -15.390 1.00 0.00 O ATOM 482 CB GLU A 30 15.225 27.000 -15.338 1.00 0.00 C ATOM 483 CG GLU A 30 15.268 28.503 -15.556 1.00 0.00 C ATOM 484 CD GLU A 30 15.420 29.273 -14.259 1.00 0.00 C ATOM 485 OE1 GLU A 30 14.386 29.618 -13.649 1.00 0.00 O ATOM 486 OE2 GLU A 30 16.572 29.530 -13.852 1.00 0.00 O ATOM 0 H GLU A 30 15.294 25.173 -13.660 1.00 0.00 H new ATOM 0 HA GLU A 30 13.504 27.382 -14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.116 26.695 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 30 15.259 26.500 -16.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 16.098 28.747 -16.219 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.354 28.820 -16.058 1.00 0.00 H new ATOM 493 N HIS A 31 12.598 26.658 -16.563 1.00 0.00 N ATOM 494 CA HIS A 31 11.662 26.157 -17.562 1.00 0.00 C ATOM 495 C HIS A 31 12.175 24.854 -18.151 1.00 0.00 C ATOM 496 O HIS A 31 11.399 23.957 -18.478 1.00 0.00 O ATOM 497 CB HIS A 31 11.446 27.191 -18.669 1.00 0.00 C ATOM 498 CG HIS A 31 12.686 27.944 -19.039 1.00 0.00 C ATOM 499 ND1 HIS A 31 12.884 29.272 -18.724 1.00 0.00 N ATOM 500 CD2 HIS A 31 13.795 27.550 -19.708 1.00 0.00 C ATOM 501 CE1 HIS A 31 14.060 29.662 -19.182 1.00 0.00 C ATOM 502 NE2 HIS A 31 14.633 28.635 -19.783 1.00 0.00 N ATOM 0 H HIS A 31 12.905 27.619 -16.713 1.00 0.00 H new ATOM 0 HA HIS A 31 10.704 25.972 -17.076 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.060 26.687 -19.555 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.683 27.900 -18.348 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.985 26.565 -20.108 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.481 30.652 -19.082 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.550 28.646 -20.230 1.00 0.00 H new ATOM 511 N ILE A 32 13.493 24.760 -18.262 1.00 0.00 N ATOM 512 CA ILE A 32 14.147 23.567 -18.789 1.00 0.00 C ATOM 513 C ILE A 32 13.458 23.061 -20.062 1.00 0.00 C ATOM 514 O ILE A 32 13.817 23.458 -21.170 1.00 0.00 O ATOM 515 CB ILE A 32 14.179 22.454 -17.714 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.026 22.897 -16.522 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.711 21.143 -18.278 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.075 21.876 -15.406 1.00 0.00 C ATOM 0 H ILE A 32 14.137 25.503 -17.991 1.00 0.00 H new ATOM 0 HA ILE A 32 15.170 23.837 -19.052 1.00 0.00 H new ATOM 0 HB ILE A 32 13.155 22.282 -17.384 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.041 23.100 -16.863 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.628 23.833 -16.131 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.718 20.386 -17.494 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.071 20.812 -19.096 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.725 21.291 -18.649 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.693 22.256 -14.592 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.066 21.690 -15.039 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.501 20.946 -15.782 1.00 0.00 H new ATOM 530 N ASP A 33 12.470 22.189 -19.893 1.00 0.00 N ATOM 531 CA ASP A 33 11.727 21.626 -21.012 1.00 0.00 C ATOM 532 C ASP A 33 10.500 20.897 -20.486 1.00 0.00 C ATOM 533 O ASP A 33 9.377 21.134 -20.931 1.00 0.00 O ATOM 534 CB ASP A 33 12.606 20.658 -21.808 1.00 0.00 C ATOM 535 CG ASP A 33 12.191 20.564 -23.263 1.00 0.00 C ATOM 536 OD1 ASP A 33 12.064 21.623 -23.913 1.00 0.00 O ATOM 537 OD2 ASP A 33 11.992 19.432 -23.751 1.00 0.00 O ATOM 0 H ASP A 33 12.163 21.854 -18.980 1.00 0.00 H new ATOM 0 HA ASP A 33 11.417 22.434 -21.674 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.645 20.983 -21.750 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.556 19.668 -21.354 1.00 0.00 H new ATOM 542 N HIS A 34 10.741 20.020 -19.514 1.00 0.00 N ATOM 543 CA HIS A 34 9.686 19.236 -18.867 1.00 0.00 C ATOM 544 C HIS A 34 8.570 18.848 -19.841 1.00 0.00 C ATOM 545 O HIS A 34 7.389 18.977 -19.518 1.00 0.00 O ATOM 546 CB HIS A 34 9.074 20.033 -17.712 1.00 0.00 C ATOM 547 CG HIS A 34 9.917 20.065 -16.477 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.340 21.235 -15.883 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.410 19.062 -15.719 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.058 20.946 -14.812 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.113 19.634 -14.690 1.00 0.00 N ATOM 0 H HIS A 34 11.675 19.831 -19.150 1.00 0.00 H new ATOM 0 HA HIS A 34 10.151 18.322 -18.499 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.897 21.056 -18.044 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.102 19.605 -17.465 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.132 22.176 -16.218 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.275 18.004 -15.891 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.521 21.662 -14.149 1.00 0.00 H new ATOM 560 N THR A 35 8.940 18.378 -21.028 1.00 0.00 N ATOM 561 CA THR A 35 7.952 17.983 -22.035 1.00 0.00 C ATOM 562 C THR A 35 6.828 17.154 -21.412 1.00 0.00 C ATOM 563 O THR A 35 7.085 16.227 -20.643 1.00 0.00 O ATOM 564 CB THR A 35 8.622 17.189 -23.156 1.00 0.00 C ATOM 565 OG1 THR A 35 9.624 17.963 -23.792 1.00 0.00 O ATOM 566 CG2 THR A 35 7.650 16.729 -24.221 1.00 0.00 C ATOM 0 H THR A 35 9.911 18.260 -21.319 1.00 0.00 H new ATOM 0 HA THR A 35 7.518 18.893 -22.450 1.00 0.00 H new ATOM 0 HB THR A 35 9.052 16.311 -22.673 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.418 17.409 -23.945 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.188 16.171 -24.988 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.893 16.088 -23.770 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.169 17.596 -24.673 1.00 0.00 H new ATOM 574 N PHE A 36 5.584 17.493 -21.746 1.00 0.00 N ATOM 575 CA PHE A 36 4.432 16.773 -21.211 1.00 0.00 C ATOM 576 C PHE A 36 3.685 16.017 -22.308 1.00 0.00 C ATOM 577 O PHE A 36 3.327 16.592 -23.336 1.00 0.00 O ATOM 578 CB PHE A 36 3.471 17.734 -20.506 1.00 0.00 C ATOM 579 CG PHE A 36 4.083 18.467 -19.346 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.079 17.906 -18.078 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.658 19.715 -19.521 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.635 18.579 -17.007 1.00 0.00 C ATOM 583 CE2 PHE A 36 5.216 20.392 -18.454 1.00 0.00 C ATOM 584 CZ PHE A 36 5.205 19.824 -17.195 1.00 0.00 C ATOM 0 H PHE A 36 5.350 18.257 -22.380 1.00 0.00 H new ATOM 0 HA PHE A 36 4.811 16.049 -20.489 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.105 18.462 -21.230 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.606 17.173 -20.153 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.637 16.933 -17.926 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.670 20.164 -20.503 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.624 18.133 -16.024 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.661 21.365 -18.604 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.641 20.352 -16.359 1.00 0.00 H new ATOM 594 N GLU A 37 3.440 14.729 -22.078 1.00 0.00 N ATOM 595 CA GLU A 37 2.720 13.904 -23.043 1.00 0.00 C ATOM 596 C GLU A 37 1.303 13.624 -22.549 1.00 0.00 C ATOM 597 O GLU A 37 1.095 12.779 -21.679 1.00 0.00 O ATOM 598 CB GLU A 37 3.462 12.588 -23.283 1.00 0.00 C ATOM 599 CG GLU A 37 4.053 12.467 -24.679 1.00 0.00 C ATOM 600 CD GLU A 37 3.333 11.446 -25.538 1.00 0.00 C ATOM 601 OE1 GLU A 37 2.361 10.835 -25.049 1.00 0.00 O ATOM 602 OE2 GLU A 37 3.743 11.258 -26.704 1.00 0.00 O ATOM 0 H GLU A 37 3.729 14.236 -21.233 1.00 0.00 H new ATOM 0 HA GLU A 37 2.663 14.449 -23.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.263 12.493 -22.549 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.776 11.758 -23.115 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.014 13.439 -25.170 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.105 12.191 -24.600 1.00 0.00 H new ATOM 609 N ILE A 38 0.336 14.349 -23.101 1.00 0.00 N ATOM 610 CA ILE A 38 -1.059 14.190 -22.707 1.00 0.00 C ATOM 611 C ILE A 38 -1.723 13.046 -23.476 1.00 0.00 C ATOM 612 O ILE A 38 -1.512 12.882 -24.678 1.00 0.00 O ATOM 613 CB ILE A 38 -1.856 15.505 -22.924 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.412 16.573 -21.920 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.359 15.273 -22.799 1.00 0.00 C ATOM 616 CD1 ILE A 38 0.082 16.804 -21.886 1.00 0.00 C ATOM 0 H ILE A 38 0.493 15.053 -23.823 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.070 13.948 -21.644 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.646 15.853 -23.936 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.909 17.513 -22.162 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.747 16.282 -20.924 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.887 16.214 -22.956 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.679 14.548 -23.547 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.587 14.891 -21.804 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.314 17.574 -21.151 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.587 15.878 -21.613 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.423 17.127 -22.870 1.00 0.00 H new ATOM 628 N GLN A 39 -2.530 12.265 -22.765 1.00 0.00 N ATOM 629 CA GLN A 39 -3.239 11.138 -23.360 1.00 0.00 C ATOM 630 C GLN A 39 -4.566 10.920 -22.644 1.00 0.00 C ATOM 631 O GLN A 39 -4.587 10.542 -21.474 1.00 0.00 O ATOM 632 CB GLN A 39 -2.382 9.872 -23.279 1.00 0.00 C ATOM 633 CG GLN A 39 -2.845 8.761 -24.207 1.00 0.00 C ATOM 634 CD GLN A 39 -1.868 7.603 -24.263 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.233 6.455 -24.007 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.617 7.899 -24.596 1.00 0.00 N ATOM 0 H GLN A 39 -2.710 12.394 -21.769 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.436 11.360 -24.409 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.350 10.127 -23.518 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.390 9.504 -22.253 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.817 8.396 -23.874 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.983 9.164 -25.210 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.358 8.864 -24.800 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.085 7.161 -24.648 1.00 0.00 H new ATOM 645 N TYR A 40 -5.673 11.173 -23.341 1.00 0.00 N ATOM 646 CA TYR A 40 -6.998 11.013 -22.745 1.00 0.00 C ATOM 647 C TYR A 40 -7.845 9.992 -23.500 1.00 0.00 C ATOM 648 O TYR A 40 -8.146 10.166 -24.681 1.00 0.00 O ATOM 649 CB TYR A 40 -7.729 12.356 -22.695 1.00 0.00 C ATOM 650 CG TYR A 40 -7.680 13.133 -23.992 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.503 13.736 -24.418 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.811 13.268 -24.788 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.454 14.450 -25.601 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.770 13.982 -25.971 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.590 14.570 -26.373 1.00 0.00 C ATOM 656 OH TYR A 40 -7.544 15.282 -27.550 1.00 0.00 O ATOM 0 H TYR A 40 -5.679 11.487 -24.311 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.851 10.642 -21.731 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.771 12.181 -22.428 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.295 12.965 -21.902 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.612 13.646 -23.815 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.737 12.808 -24.477 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.531 14.911 -25.919 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.658 14.079 -26.577 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.729 15.826 -27.572 1.00 0.00 H new ATOM 666 N ARG A 41 -8.244 8.936 -22.794 1.00 0.00 N ATOM 667 CA ARG A 41 -9.077 7.888 -23.372 1.00 0.00 C ATOM 668 C ARG A 41 -10.449 7.882 -22.703 1.00 0.00 C ATOM 669 O ARG A 41 -10.880 8.899 -22.158 1.00 0.00 O ATOM 670 CB ARG A 41 -8.400 6.522 -23.227 1.00 0.00 C ATOM 671 CG ARG A 41 -8.340 6.016 -21.797 1.00 0.00 C ATOM 672 CD ARG A 41 -8.914 4.615 -21.678 1.00 0.00 C ATOM 673 NE ARG A 41 -8.400 3.908 -20.509 1.00 0.00 N ATOM 674 CZ ARG A 41 -8.655 2.630 -20.249 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.412 1.921 -21.076 1.00 0.00 N ATOM 676 NH2 ARG A 41 -8.154 2.059 -19.162 1.00 0.00 N ATOM 0 H ARG A 41 -8.001 8.785 -21.815 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.208 8.091 -24.435 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.936 5.795 -23.837 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.386 6.586 -23.623 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.306 6.017 -21.453 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.893 6.694 -21.147 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.001 4.673 -21.617 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.675 4.048 -22.578 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.812 4.424 -19.855 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.799 2.357 -21.913 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.607 0.940 -20.875 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.572 2.601 -18.524 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.351 1.078 -18.964 1.00 0.00 H new ATOM 690 N LYS A 42 -11.144 6.749 -22.747 1.00 0.00 N ATOM 691 CA LYS A 42 -12.471 6.667 -22.143 1.00 0.00 C ATOM 692 C LYS A 42 -12.736 5.321 -21.496 1.00 0.00 C ATOM 693 O LYS A 42 -12.120 4.312 -21.840 1.00 0.00 O ATOM 694 CB LYS A 42 -13.550 6.927 -23.193 1.00 0.00 C ATOM 695 CG LYS A 42 -13.156 7.956 -24.229 1.00 0.00 C ATOM 696 CD LYS A 42 -14.022 7.856 -25.474 1.00 0.00 C ATOM 697 CE LYS A 42 -13.621 6.673 -26.342 1.00 0.00 C ATOM 698 NZ LYS A 42 -14.458 6.574 -27.569 1.00 0.00 N ATOM 0 H LYS A 42 -10.818 5.888 -23.187 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.503 7.430 -21.365 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.787 5.990 -23.697 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.459 7.259 -22.692 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.245 8.955 -23.802 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.110 7.817 -24.501 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.068 7.757 -25.183 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.938 8.777 -26.051 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.573 6.769 -26.625 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.712 5.753 -25.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.950 6.026 -28.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.354 6.098 -27.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.655 7.528 -27.933 1.00 0.00 H new ATOM 712 N ASP A 43 -13.695 5.316 -20.579 1.00 0.00 N ATOM 713 CA ASP A 43 -14.097 4.100 -19.898 1.00 0.00 C ATOM 714 C ASP A 43 -14.533 3.059 -20.926 1.00 0.00 C ATOM 715 O ASP A 43 -14.532 1.860 -20.651 1.00 0.00 O ATOM 716 CB ASP A 43 -15.236 4.404 -18.918 1.00 0.00 C ATOM 717 CG ASP A 43 -15.896 3.151 -18.369 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.219 2.393 -17.643 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.089 2.930 -18.666 1.00 0.00 O ATOM 0 H ASP A 43 -14.210 6.148 -20.291 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.254 3.702 -19.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.847 4.996 -18.090 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.987 5.014 -19.420 1.00 0.00 H new ATOM 724 N THR A 44 -14.897 3.531 -22.122 1.00 0.00 N ATOM 725 CA THR A 44 -15.322 2.643 -23.194 1.00 0.00 C ATOM 726 C THR A 44 -14.179 2.401 -24.173 1.00 0.00 C ATOM 727 O THR A 44 -14.144 1.380 -24.860 1.00 0.00 O ATOM 728 CB THR A 44 -16.524 3.236 -23.930 1.00 0.00 C ATOM 729 OG1 THR A 44 -16.156 4.414 -24.626 1.00 0.00 O ATOM 730 CG2 THR A 44 -17.675 3.587 -23.013 1.00 0.00 C ATOM 0 H THR A 44 -14.904 4.521 -22.366 1.00 0.00 H new ATOM 0 HA THR A 44 -15.613 1.689 -22.754 1.00 0.00 H new ATOM 0 HB THR A 44 -16.853 2.457 -24.618 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.938 4.777 -25.092 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.494 4.003 -23.600 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.017 2.689 -22.498 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.345 4.323 -22.280 1.00 0.00 H new ATOM 738 N ALA A 45 -13.241 3.344 -24.230 1.00 0.00 N ATOM 739 CA ALA A 45 -12.095 3.226 -25.123 1.00 0.00 C ATOM 740 C ALA A 45 -11.036 2.302 -24.530 1.00 0.00 C ATOM 741 O ALA A 45 -11.189 1.804 -23.414 1.00 0.00 O ATOM 742 CB ALA A 45 -11.505 4.600 -25.403 1.00 0.00 C ATOM 0 H ALA A 45 -13.253 4.196 -23.669 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.435 2.791 -26.063 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.650 4.499 -26.071 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.260 5.231 -25.872 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.182 5.055 -24.467 1.00 0.00 H new ATOM 748 N THR A 46 -9.961 2.076 -25.280 1.00 0.00 N ATOM 749 CA THR A 46 -8.880 1.207 -24.820 1.00 0.00 C ATOM 750 C THR A 46 -7.520 1.847 -25.074 1.00 0.00 C ATOM 751 O THR A 46 -6.588 1.189 -25.538 1.00 0.00 O ATOM 752 CB THR A 46 -8.952 -0.151 -25.516 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.364 -0.004 -26.864 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.906 -1.118 -24.847 1.00 0.00 C ATOM 0 H THR A 46 -9.815 2.480 -26.205 1.00 0.00 H new ATOM 0 HA THR A 46 -9.001 1.063 -23.746 1.00 0.00 H new ATOM 0 HB THR A 46 -7.943 -0.560 -25.454 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.402 -0.885 -27.292 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.909 -2.062 -25.392 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.586 -1.293 -23.820 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.911 -0.696 -24.847 1.00 0.00 H new ATOM 762 N TRP A 47 -7.417 3.132 -24.766 1.00 0.00 N ATOM 763 CA TRP A 47 -6.175 3.872 -24.958 1.00 0.00 C ATOM 764 C TRP A 47 -5.792 3.943 -26.437 1.00 0.00 C ATOM 765 O TRP A 47 -4.664 4.303 -26.775 1.00 0.00 O ATOM 766 CB TRP A 47 -5.044 3.227 -24.156 1.00 0.00 C ATOM 767 CG TRP A 47 -5.236 3.337 -22.675 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.489 2.317 -21.802 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.193 4.535 -21.891 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.606 2.809 -20.525 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.428 4.167 -20.554 1.00 0.00 C ATOM 772 CE3 TRP A 47 -4.977 5.884 -22.193 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.453 5.099 -19.519 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.003 6.806 -21.165 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.239 6.411 -19.842 1.00 0.00 C ATOM 0 H TRP A 47 -8.181 3.687 -24.380 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.334 4.889 -24.600 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.968 2.175 -24.429 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.099 3.697 -24.430 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.583 1.277 -22.076 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.795 2.253 -19.691 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.794 6.198 -23.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.635 4.797 -18.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.838 7.850 -21.385 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.252 7.157 -19.061 1.00 0.00 H new ATOM 786 N LYS A 48 -6.736 3.609 -27.314 1.00 0.00 N ATOM 787 CA LYS A 48 -6.494 3.648 -28.751 1.00 0.00 C ATOM 788 C LYS A 48 -7.241 4.818 -29.377 1.00 0.00 C ATOM 789 O LYS A 48 -6.803 5.394 -30.372 1.00 0.00 O ATOM 790 CB LYS A 48 -6.935 2.338 -29.403 1.00 0.00 C ATOM 791 CG LYS A 48 -6.432 1.100 -28.681 1.00 0.00 C ATOM 792 CD LYS A 48 -4.921 1.128 -28.517 1.00 0.00 C ATOM 793 CE LYS A 48 -4.216 1.303 -29.852 1.00 0.00 C ATOM 794 NZ LYS A 48 -2.740 1.417 -29.689 1.00 0.00 N ATOM 0 H LYS A 48 -7.675 3.309 -27.053 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.425 3.779 -28.918 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.024 2.309 -29.441 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.580 2.317 -30.433 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.904 1.031 -27.701 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.722 0.209 -29.238 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.642 1.942 -27.848 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.588 0.202 -28.048 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.446 0.456 -30.498 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.596 2.195 -30.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.296 1.535 -30.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.519 2.241 -29.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.373 0.555 -29.237 1.00 0.00 H new ATOM 808 N ASP A 49 -8.373 5.161 -28.775 1.00 0.00 N ATOM 809 CA ASP A 49 -9.196 6.263 -29.254 1.00 0.00 C ATOM 810 C ASP A 49 -8.889 7.541 -28.478 1.00 0.00 C ATOM 811 O ASP A 49 -9.724 8.440 -28.389 1.00 0.00 O ATOM 812 CB ASP A 49 -10.675 5.912 -29.109 1.00 0.00 C ATOM 813 CG ASP A 49 -11.322 5.571 -30.437 1.00 0.00 C ATOM 814 OD1 ASP A 49 -11.228 4.400 -30.860 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.925 6.476 -31.053 1.00 0.00 O ATOM 0 H ASP A 49 -8.743 4.689 -27.950 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.968 6.431 -30.306 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.780 5.066 -28.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.202 6.752 -28.656 1.00 0.00 H new ATOM 820 N SER A 50 -7.686 7.612 -27.915 1.00 0.00 N ATOM 821 CA SER A 50 -7.274 8.777 -27.142 1.00 0.00 C ATOM 822 C SER A 50 -6.327 9.662 -27.946 1.00 0.00 C ATOM 823 O SER A 50 -5.377 9.175 -28.560 1.00 0.00 O ATOM 824 CB SER A 50 -6.592 8.335 -25.845 1.00 0.00 C ATOM 825 OG SER A 50 -5.778 7.196 -26.058 1.00 0.00 O ATOM 0 H SER A 50 -6.981 6.877 -27.980 1.00 0.00 H new ATOM 0 HA SER A 50 -8.166 9.355 -26.903 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.985 9.151 -25.454 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.347 8.110 -25.092 1.00 0.00 H new ATOM 0 HG SER A 50 -5.353 6.935 -25.214 1.00 0.00 H new ATOM 831 N LYS A 51 -6.587 10.966 -27.935 1.00 0.00 N ATOM 832 CA LYS A 51 -5.753 11.916 -28.661 1.00 0.00 C ATOM 833 C LYS A 51 -4.474 12.218 -27.884 1.00 0.00 C ATOM 834 O LYS A 51 -4.525 12.658 -26.736 1.00 0.00 O ATOM 835 CB LYS A 51 -6.524 13.212 -28.920 1.00 0.00 C ATOM 836 CG LYS A 51 -6.729 13.509 -30.395 1.00 0.00 C ATOM 837 CD LYS A 51 -6.160 14.867 -30.773 1.00 0.00 C ATOM 838 CE LYS A 51 -6.441 15.205 -32.228 1.00 0.00 C ATOM 839 NZ LYS A 51 -6.596 16.670 -32.441 1.00 0.00 N ATOM 0 H LYS A 51 -7.368 11.388 -27.432 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.481 11.468 -29.617 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.496 13.151 -28.431 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.988 14.043 -28.461 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.251 12.733 -30.993 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.793 13.481 -30.629 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.591 15.635 -30.131 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.084 14.873 -30.599 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.627 14.832 -32.850 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.348 14.694 -32.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.786 16.856 -33.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.389 17.022 -31.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.721 17.156 -32.158 1.00 0.00 H new ATOM 853 N THR A 52 -3.330 11.982 -28.517 1.00 0.00 N ATOM 854 CA THR A 52 -2.042 12.233 -27.882 1.00 0.00 C ATOM 855 C THR A 52 -1.610 13.680 -28.079 1.00 0.00 C ATOM 856 O THR A 52 -1.266 14.091 -29.188 1.00 0.00 O ATOM 857 CB THR A 52 -0.975 11.293 -28.446 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.281 9.945 -28.138 1.00 0.00 O ATOM 859 CG2 THR A 52 0.416 11.582 -27.919 1.00 0.00 C ATOM 0 H THR A 52 -3.269 11.618 -29.468 1.00 0.00 H new ATOM 0 HA THR A 52 -2.154 12.046 -26.814 1.00 0.00 H new ATOM 0 HB THR A 52 -0.980 11.462 -29.523 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.588 9.359 -28.509 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.125 10.880 -28.358 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.702 12.600 -28.185 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.424 11.474 -26.834 1.00 0.00 H new ATOM 867 N GLU A 53 -1.624 14.449 -26.996 1.00 0.00 N ATOM 868 CA GLU A 53 -1.229 15.851 -27.051 1.00 0.00 C ATOM 869 C GLU A 53 0.198 16.029 -26.549 1.00 0.00 C ATOM 870 O GLU A 53 0.591 15.441 -25.541 1.00 0.00 O ATOM 871 CB GLU A 53 -2.185 16.709 -26.223 1.00 0.00 C ATOM 872 CG GLU A 53 -3.099 17.583 -27.067 1.00 0.00 C ATOM 873 CD GLU A 53 -2.334 18.457 -28.041 1.00 0.00 C ATOM 874 OE1 GLU A 53 -1.704 19.436 -27.590 1.00 0.00 O ATOM 875 OE2 GLU A 53 -2.364 18.161 -29.255 1.00 0.00 O ATOM 0 H GLU A 53 -1.904 14.125 -26.070 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.275 16.175 -28.091 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.795 16.058 -25.596 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.604 17.344 -25.554 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.792 16.949 -27.620 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.699 18.215 -26.411 1.00 0.00 H new ATOM 882 N THR A 54 0.968 16.843 -27.259 1.00 0.00 N ATOM 883 CA THR A 54 2.350 17.101 -26.891 1.00 0.00 C ATOM 884 C THR A 54 2.492 18.484 -26.268 1.00 0.00 C ATOM 885 O THR A 54 2.769 19.465 -26.957 1.00 0.00 O ATOM 886 CB THR A 54 3.249 16.975 -28.117 1.00 0.00 C ATOM 887 OG1 THR A 54 2.512 17.202 -29.304 1.00 0.00 O ATOM 888 CG2 THR A 54 3.904 15.616 -28.234 1.00 0.00 C ATOM 0 H THR A 54 0.656 17.336 -28.095 1.00 0.00 H new ATOM 0 HA THR A 54 2.657 16.362 -26.151 1.00 0.00 H new ATOM 0 HB THR A 54 4.027 17.728 -27.988 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.106 17.119 -30.079 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.530 15.590 -29.126 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.519 15.431 -27.353 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.135 14.847 -28.308 1.00 0.00 H new ATOM 896 N LEU A 55 2.291 18.550 -24.959 1.00 0.00 N ATOM 897 CA LEU A 55 2.386 19.804 -24.226 1.00 0.00 C ATOM 898 C LEU A 55 3.812 20.041 -23.733 1.00 0.00 C ATOM 899 O LEU A 55 4.275 19.380 -22.806 1.00 0.00 O ATOM 900 CB LEU A 55 1.413 19.782 -23.041 1.00 0.00 C ATOM 901 CG LEU A 55 -0.024 20.246 -23.337 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.189 21.715 -22.980 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.408 20.002 -24.793 1.00 0.00 C ATOM 0 H LEU A 55 2.059 17.743 -24.380 1.00 0.00 H new ATOM 0 HA LEU A 55 2.121 20.621 -24.897 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.372 18.765 -22.650 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.821 20.412 -22.250 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.698 19.654 -22.718 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.210 22.029 -23.195 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.019 21.857 -21.920 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.506 22.313 -23.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.429 20.343 -24.962 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.271 20.552 -25.445 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.340 18.937 -25.014 1.00 0.00 H new ATOM 915 N GLN A 56 4.506 20.986 -24.361 1.00 0.00 N ATOM 916 CA GLN A 56 5.880 21.299 -23.981 1.00 0.00 C ATOM 917 C GLN A 56 5.916 22.378 -22.901 1.00 0.00 C ATOM 918 O GLN A 56 5.339 23.453 -23.065 1.00 0.00 O ATOM 919 CB GLN A 56 6.683 21.753 -25.201 1.00 0.00 C ATOM 920 CG GLN A 56 6.860 20.667 -26.250 1.00 0.00 C ATOM 921 CD GLN A 56 8.317 20.337 -26.510 1.00 0.00 C ATOM 922 OE1 GLN A 56 8.738 20.199 -27.659 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.095 20.205 -25.442 1.00 0.00 N ATOM 0 H GLN A 56 4.142 21.546 -25.132 1.00 0.00 H new ATOM 0 HA GLN A 56 6.331 20.392 -23.578 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.184 22.609 -25.656 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.665 22.094 -24.873 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.340 19.766 -25.925 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.392 20.987 -27.181 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.704 20.328 -24.508 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.083 19.981 -25.556 1.00 0.00 H new ATOM 932 N ASN A 57 6.597 22.080 -21.795 1.00 0.00 N ATOM 933 CA ASN A 57 6.713 23.022 -20.677 1.00 0.00 C ATOM 934 C ASN A 57 5.375 23.697 -20.379 1.00 0.00 C ATOM 935 O ASN A 57 5.332 24.846 -19.940 1.00 0.00 O ATOM 936 CB ASN A 57 7.787 24.086 -20.955 1.00 0.00 C ATOM 937 CG ASN A 57 8.041 24.311 -22.435 1.00 0.00 C ATOM 938 OD1 ASN A 57 7.608 25.312 -23.006 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.747 23.376 -23.062 1.00 0.00 N ATOM 0 H ASN A 57 7.078 21.193 -21.647 1.00 0.00 H new ATOM 0 HA ASN A 57 7.013 22.446 -19.801 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.482 25.028 -20.499 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.719 23.786 -20.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.950 23.472 -24.057 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.086 22.563 -22.548 1.00 0.00 H new ATOM 946 N ALA A 58 4.288 22.972 -20.619 1.00 0.00 N ATOM 947 CA ALA A 58 2.948 23.493 -20.374 1.00 0.00 C ATOM 948 C ALA A 58 2.338 22.860 -19.128 1.00 0.00 C ATOM 949 O ALA A 58 2.894 21.916 -18.566 1.00 0.00 O ATOM 950 CB ALA A 58 2.056 23.245 -21.580 1.00 0.00 C ATOM 0 H ALA A 58 4.309 22.020 -20.984 1.00 0.00 H new ATOM 0 HA ALA A 58 3.026 24.568 -20.208 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.059 23.639 -21.382 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.477 23.744 -22.453 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.991 22.174 -21.771 1.00 0.00 H new ATOM 956 N HIS A 59 1.193 23.383 -18.701 1.00 0.00 N ATOM 957 CA HIS A 59 0.515 22.863 -17.521 1.00 0.00 C ATOM 958 C HIS A 59 -0.966 22.601 -17.795 1.00 0.00 C ATOM 959 O HIS A 59 -1.755 22.442 -16.863 1.00 0.00 O ATOM 960 CB HIS A 59 0.666 23.837 -16.350 1.00 0.00 C ATOM 961 CG HIS A 59 2.011 23.776 -15.692 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.467 24.743 -14.821 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.002 22.858 -15.784 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.681 24.422 -14.406 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.027 23.283 -14.975 1.00 0.00 N ATOM 0 H HIS A 59 0.717 24.164 -19.153 1.00 0.00 H new ATOM 0 HA HIS A 59 0.983 21.913 -17.262 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.490 24.852 -16.707 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.103 23.623 -15.608 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.989 21.959 -16.382 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.286 24.995 -13.719 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.913 22.797 -14.836 1.00 0.00 H new ATOM 974 N SER A 60 -1.342 22.553 -19.074 1.00 0.00 N ATOM 975 CA SER A 60 -2.732 22.304 -19.453 1.00 0.00 C ATOM 976 C SER A 60 -2.914 22.351 -20.967 1.00 0.00 C ATOM 977 O SER A 60 -2.136 22.987 -21.677 1.00 0.00 O ATOM 978 CB SER A 60 -3.657 23.333 -18.799 1.00 0.00 C ATOM 979 OG SER A 60 -3.328 24.648 -19.210 1.00 0.00 O ATOM 0 H SER A 60 -0.706 22.683 -19.861 1.00 0.00 H new ATOM 0 HA SER A 60 -2.992 21.305 -19.103 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.692 23.115 -19.062 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.581 23.258 -17.714 1.00 0.00 H new ATOM 0 HG SER A 60 -3.934 25.287 -18.780 1.00 0.00 H new ATOM 985 N MET A 61 -3.959 21.683 -21.452 1.00 0.00 N ATOM 986 CA MET A 61 -4.259 21.655 -22.877 1.00 0.00 C ATOM 987 C MET A 61 -5.712 22.056 -23.114 1.00 0.00 C ATOM 988 O MET A 61 -6.312 22.744 -22.288 1.00 0.00 O ATOM 989 CB MET A 61 -3.988 20.262 -23.452 1.00 0.00 C ATOM 990 CG MET A 61 -5.007 19.220 -23.025 1.00 0.00 C ATOM 991 SD MET A 61 -4.889 17.698 -23.988 1.00 0.00 S ATOM 992 CE MET A 61 -6.112 18.000 -25.260 1.00 0.00 C ATOM 0 H MET A 61 -4.612 21.153 -20.875 1.00 0.00 H new ATOM 0 HA MET A 61 -3.611 22.369 -23.386 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.977 20.323 -24.540 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.995 19.936 -23.141 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.865 18.989 -21.969 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.010 19.634 -23.129 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.795 17.527 -26.189 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.070 17.584 -24.949 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.216 19.074 -25.417 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.278 21.627 -24.237 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.661 21.954 -24.556 1.00 0.00 C ATOM 1004 C ALA A 62 -8.367 20.784 -25.228 1.00 0.00 C ATOM 1005 O ALA A 62 -8.500 20.753 -26.450 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.717 23.184 -25.449 1.00 0.00 C ATOM 0 H ALA A 62 -5.804 21.056 -24.937 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.180 22.167 -23.621 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.756 23.418 -25.681 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.261 24.029 -24.934 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.175 22.987 -26.374 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.828 19.824 -24.423 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.534 18.650 -24.948 1.00 0.00 C ATOM 1014 C LEU A 63 -10.516 19.057 -26.050 1.00 0.00 C ATOM 1015 O LEU A 63 -11.595 19.577 -25.767 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.285 17.934 -23.826 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.401 17.328 -22.734 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.147 17.289 -21.409 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.944 15.934 -23.132 1.00 0.00 C ATOM 0 H LEU A 63 -8.726 19.835 -23.408 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.794 17.971 -25.371 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.974 18.641 -23.363 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.890 17.140 -24.264 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.519 17.956 -22.614 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.505 16.855 -20.642 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.426 18.302 -21.118 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.046 16.682 -21.515 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.316 15.518 -22.344 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.814 15.294 -23.279 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.373 15.989 -24.059 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.143 18.848 -27.324 1.00 0.00 N ATOM 1032 CA PRO A 64 -10.987 19.223 -28.457 1.00 0.00 C ATOM 1033 C PRO A 64 -12.152 18.262 -28.705 1.00 0.00 C ATOM 1034 O PRO A 64 -13.277 18.522 -28.279 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.018 19.224 -29.641 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.910 18.297 -29.256 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.859 18.259 -27.751 1.00 0.00 C ATOM 0 HA PRO A 64 -11.475 20.182 -28.283 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.512 18.887 -30.552 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.639 20.227 -29.837 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.086 17.300 -29.660 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.960 18.643 -29.664 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.748 17.239 -27.383 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.013 18.830 -27.368 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.890 17.169 -29.419 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.933 16.200 -29.742 1.00 0.00 C ATOM 1047 C ALA A 65 -13.058 15.102 -28.690 1.00 0.00 C ATOM 1048 O ALA A 65 -12.211 14.214 -28.602 1.00 0.00 O ATOM 1049 CB ALA A 65 -12.667 15.587 -31.109 1.00 0.00 C ATOM 0 H ALA A 65 -10.967 16.933 -29.784 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.881 16.738 -29.756 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.450 14.865 -31.343 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.660 16.372 -31.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.700 15.084 -31.100 1.00 0.00 H new ATOM 1055 N LEU A 66 -14.138 15.158 -27.914 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.399 14.155 -26.886 1.00 0.00 C ATOM 1057 C LEU A 66 -15.770 13.517 -27.111 1.00 0.00 C ATOM 1058 O LEU A 66 -16.350 13.649 -28.190 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.328 14.775 -25.485 1.00 0.00 C ATOM 1060 CG LEU A 66 -13.070 15.599 -25.187 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -13.024 15.984 -23.715 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.815 14.831 -25.569 1.00 0.00 C ATOM 0 H LEU A 66 -14.847 15.889 -27.978 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.631 13.385 -26.957 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.200 15.414 -25.346 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.398 13.974 -24.749 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.111 16.508 -25.787 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.125 16.569 -23.520 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.904 16.578 -23.466 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.010 15.082 -23.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.936 15.437 -25.348 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.769 13.903 -24.999 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.839 14.602 -26.634 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.287 12.826 -26.099 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.590 12.175 -26.214 1.00 0.00 C ATOM 1076 C GLU A 67 -18.499 12.541 -25.038 1.00 0.00 C ATOM 1077 O GLU A 67 -18.058 12.571 -23.889 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.419 10.656 -26.288 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.400 10.116 -27.708 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.718 8.765 -27.808 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.309 7.766 -27.346 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -15.593 8.707 -28.347 1.00 0.00 O ATOM 0 H GLU A 67 -15.828 12.702 -25.196 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.061 12.529 -27.131 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.490 10.378 -25.790 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.230 10.180 -25.738 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.423 10.031 -28.074 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.888 10.827 -28.356 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.786 12.825 -25.316 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.759 13.190 -24.290 1.00 0.00 C ATOM 1091 C PRO A 68 -21.436 11.976 -23.662 1.00 0.00 C ATOM 1092 O PRO A 68 -21.761 11.010 -24.353 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.770 14.012 -25.076 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.770 13.402 -26.438 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.395 12.817 -26.658 1.00 0.00 C ATOM 0 HA PRO A 68 -20.300 13.715 -23.452 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.759 13.966 -24.620 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.485 15.063 -25.112 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.535 12.629 -26.515 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.997 14.151 -27.196 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.451 11.807 -27.065 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.816 13.413 -27.363 1.00 0.00 H new ATOM 1103 N SER A 69 -21.650 12.035 -22.352 1.00 0.00 N ATOM 1104 CA SER A 69 -22.293 10.940 -21.635 1.00 0.00 C ATOM 1105 C SER A 69 -21.387 9.715 -21.587 1.00 0.00 C ATOM 1106 O SER A 69 -21.832 8.590 -21.818 1.00 0.00 O ATOM 1107 CB SER A 69 -23.623 10.580 -22.299 1.00 0.00 C ATOM 1108 OG SER A 69 -24.388 9.716 -21.476 1.00 0.00 O ATOM 0 H SER A 69 -21.388 12.828 -21.766 1.00 0.00 H new ATOM 0 HA SER A 69 -22.482 11.269 -20.613 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.189 11.489 -22.502 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.435 10.100 -23.259 1.00 0.00 H new ATOM 0 HG SER A 69 -23.870 8.908 -21.279 1.00 0.00 H new ATOM 1114 N THR A 70 -20.113 9.941 -21.285 1.00 0.00 N ATOM 1115 CA THR A 70 -19.143 8.857 -21.206 1.00 0.00 C ATOM 1116 C THR A 70 -17.973 9.242 -20.309 1.00 0.00 C ATOM 1117 O THR A 70 -17.698 10.424 -20.101 1.00 0.00 O ATOM 1118 CB THR A 70 -18.634 8.500 -22.603 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.690 8.018 -23.414 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.545 7.449 -22.593 1.00 0.00 C ATOM 0 H THR A 70 -19.729 10.866 -21.091 1.00 0.00 H new ATOM 0 HA THR A 70 -19.638 7.987 -20.774 1.00 0.00 H new ATOM 0 HB THR A 70 -18.220 9.425 -23.004 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.526 8.026 -22.902 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.229 7.242 -23.616 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.694 7.812 -22.017 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.926 6.534 -22.139 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.283 8.237 -19.782 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.139 8.475 -18.912 1.00 0.00 C ATOM 1130 C ARG A 71 -14.900 8.809 -19.734 1.00 0.00 C ATOM 1131 O ARG A 71 -14.830 8.492 -20.921 1.00 0.00 O ATOM 1132 CB ARG A 71 -15.877 7.247 -18.038 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.058 7.510 -16.553 1.00 0.00 C ATOM 1134 CD ARG A 71 -15.707 6.289 -15.716 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.475 5.111 -16.111 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.661 4.056 -15.325 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -16.144 4.034 -14.104 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -17.366 3.021 -15.761 1.00 0.00 N ATOM 0 H ARG A 71 -17.496 7.252 -19.942 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.366 9.325 -18.269 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.550 6.445 -18.341 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.861 6.895 -18.215 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.430 8.349 -16.253 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.091 7.799 -16.358 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.642 6.077 -15.815 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.893 6.506 -14.664 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.892 5.098 -17.042 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.602 4.829 -13.765 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.289 3.222 -13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.765 3.035 -16.699 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.509 2.211 -15.158 1.00 0.00 H new ATOM 1152 N TYR A 72 -13.925 9.453 -19.101 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.695 9.829 -19.789 1.00 0.00 C ATOM 1154 C TYR A 72 -11.478 9.656 -18.889 1.00 0.00 C ATOM 1155 O TYR A 72 -11.310 10.377 -17.906 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.781 11.270 -20.289 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.082 11.363 -21.765 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.335 11.024 -22.259 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.111 11.778 -22.666 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.612 11.097 -23.610 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.379 11.851 -24.020 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.632 11.510 -24.485 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.904 11.576 -25.832 1.00 0.00 O ATOM 0 H TYR A 72 -13.962 9.724 -18.118 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.578 9.164 -20.644 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.555 11.797 -19.732 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.839 11.778 -20.083 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.105 10.698 -21.576 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.130 12.048 -22.303 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.592 10.832 -23.978 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.612 12.173 -24.709 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.200 11.111 -26.331 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.629 8.696 -19.244 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.416 8.420 -18.480 1.00 0.00 C ATOM 1175 C TRP A 73 -8.197 8.991 -19.193 1.00 0.00 C ATOM 1176 O TRP A 73 -7.897 8.607 -20.322 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.242 6.913 -18.289 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.348 6.281 -17.504 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.583 5.928 -17.965 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.322 5.930 -16.116 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.325 5.375 -16.948 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.572 5.367 -15.803 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.360 6.035 -15.107 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -11.887 4.911 -14.525 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.673 5.583 -13.838 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -10.927 5.027 -13.558 1.00 0.00 C ATOM 0 H TRP A 73 -10.759 8.095 -20.058 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.510 8.895 -17.504 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.182 6.435 -19.267 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.295 6.725 -17.783 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.927 6.063 -18.980 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.280 5.027 -17.032 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.390 6.461 -15.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.854 4.482 -14.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.938 5.660 -13.050 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.141 4.682 -12.557 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.502 9.911 -18.536 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.326 10.527 -19.133 1.00 0.00 C ATOM 1199 C ALA A 74 -5.087 10.362 -18.260 1.00 0.00 C ATOM 1200 O ALA A 74 -5.141 9.772 -17.181 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.584 12.000 -19.407 1.00 0.00 C ATOM 0 H ALA A 74 -7.730 10.244 -17.599 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.132 10.014 -20.075 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.696 12.448 -19.853 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.425 12.101 -20.093 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.816 12.509 -18.471 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.971 10.891 -18.749 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.703 10.818 -18.038 1.00 0.00 C ATOM 1209 C ARG A 75 -1.698 11.776 -18.663 1.00 0.00 C ATOM 1210 O ARG A 75 -1.956 12.351 -19.721 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.157 9.391 -18.071 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.376 8.695 -19.404 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.009 7.223 -19.331 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.035 6.587 -20.645 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.040 5.270 -20.826 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.018 4.457 -19.778 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.066 4.766 -22.052 1.00 0.00 N ATOM 0 H ARG A 75 -3.921 11.379 -19.643 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.868 11.105 -16.999 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.090 9.412 -17.851 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.633 8.809 -17.282 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.420 8.796 -19.701 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.777 9.183 -20.173 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.015 7.118 -18.897 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.703 6.709 -18.666 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.050 7.187 -21.470 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.997 4.842 -18.834 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.022 3.446 -19.916 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.082 5.389 -22.859 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.070 3.755 -22.188 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.556 11.953 -18.011 1.00 0.00 N ATOM 1232 CA VAL A 76 0.463 12.853 -18.528 1.00 0.00 C ATOM 1233 C VAL A 76 1.869 12.437 -18.102 1.00 0.00 C ATOM 1234 O VAL A 76 2.131 12.194 -16.924 1.00 0.00 O ATOM 1235 CB VAL A 76 0.202 14.309 -18.086 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.516 14.501 -16.608 1.00 0.00 C ATOM 1237 CG2 VAL A 76 1.005 15.275 -18.940 1.00 0.00 C ATOM 0 H VAL A 76 -0.315 11.491 -17.134 1.00 0.00 H new ATOM 0 HA VAL A 76 0.403 12.792 -19.615 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.858 14.521 -18.229 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.322 15.536 -16.326 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.114 13.839 -16.013 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.564 14.265 -16.425 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.809 16.297 -18.615 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.068 15.058 -18.834 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.715 15.165 -19.985 1.00 0.00 H new ATOM 1247 N ARG A 77 2.770 12.379 -19.075 1.00 0.00 N ATOM 1248 CA ARG A 77 4.160 12.018 -18.825 1.00 0.00 C ATOM 1249 C ARG A 77 5.015 13.274 -18.764 1.00 0.00 C ATOM 1250 O ARG A 77 4.893 14.146 -19.617 1.00 0.00 O ATOM 1251 CB ARG A 77 4.675 11.102 -19.934 1.00 0.00 C ATOM 1252 CG ARG A 77 4.059 9.717 -19.915 1.00 0.00 C ATOM 1253 CD ARG A 77 5.105 8.643 -20.168 1.00 0.00 C ATOM 1254 NE ARG A 77 4.589 7.561 -21.000 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.296 6.485 -21.330 1.00 0.00 C ATOM 1256 NH1 ARG A 77 6.544 6.352 -20.902 1.00 0.00 N ATOM 1257 NH2 ARG A 77 4.756 5.543 -22.092 1.00 0.00 N ATOM 0 H ARG A 77 2.560 12.579 -20.053 1.00 0.00 H new ATOM 0 HA ARG A 77 4.220 11.491 -17.873 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.474 11.566 -20.899 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.757 11.010 -19.844 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.581 9.542 -18.951 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.279 9.653 -20.673 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.973 9.090 -20.652 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.445 8.237 -19.215 1.00 0.00 H new ATOM 0 HE ARG A 77 3.633 7.634 -21.348 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.963 7.076 -20.318 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.085 5.526 -21.156 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.797 5.644 -22.425 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.299 4.718 -22.345 1.00 0.00 H new ATOM 1271 N VAL A 78 5.879 13.374 -17.762 1.00 0.00 N ATOM 1272 CA VAL A 78 6.733 14.543 -17.634 1.00 0.00 C ATOM 1273 C VAL A 78 8.196 14.192 -17.883 1.00 0.00 C ATOM 1274 O VAL A 78 8.804 13.426 -17.136 1.00 0.00 O ATOM 1275 CB VAL A 78 6.587 15.202 -16.248 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.827 14.187 -15.141 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.530 16.391 -16.114 1.00 0.00 C ATOM 0 H VAL A 78 6.005 12.669 -17.036 1.00 0.00 H new ATOM 0 HA VAL A 78 6.408 15.255 -18.393 1.00 0.00 H new ATOM 0 HB VAL A 78 5.566 15.570 -16.150 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.719 14.674 -14.172 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.100 13.379 -15.224 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.834 13.780 -15.233 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.410 16.841 -15.128 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.559 16.055 -16.237 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.296 17.129 -16.881 1.00 0.00 H new ATOM 1287 N ARG A 79 8.752 14.765 -18.944 1.00 0.00 N ATOM 1288 CA ARG A 79 10.142 14.526 -19.303 1.00 0.00 C ATOM 1289 C ARG A 79 10.852 15.843 -19.586 1.00 0.00 C ATOM 1290 O ARG A 79 10.575 16.507 -20.583 1.00 0.00 O ATOM 1291 CB ARG A 79 10.230 13.614 -20.528 1.00 0.00 C ATOM 1292 CG ARG A 79 11.566 12.901 -20.657 1.00 0.00 C ATOM 1293 CD ARG A 79 11.940 12.185 -19.369 1.00 0.00 C ATOM 1294 NE ARG A 79 12.872 12.964 -18.559 1.00 0.00 N ATOM 1295 CZ ARG A 79 13.648 12.437 -17.616 1.00 0.00 C ATOM 1296 NH1 ARG A 79 13.608 11.134 -17.374 1.00 0.00 N ATOM 1297 NH2 ARG A 79 14.465 13.213 -16.916 1.00 0.00 N ATOM 0 H ARG A 79 8.259 15.400 -19.571 1.00 0.00 H new ATOM 0 HA ARG A 79 10.632 14.034 -18.463 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.434 12.871 -20.476 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.055 14.207 -21.426 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.519 12.181 -21.474 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.342 13.623 -20.912 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.038 11.984 -18.791 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.387 11.220 -19.608 1.00 0.00 H new ATOM 0 HE ARG A 79 12.931 13.969 -18.726 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.982 10.534 -17.911 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.204 10.731 -16.651 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.499 14.216 -17.101 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.059 12.807 -16.193 1.00 0.00 H new ATOM 1311 N THR A 80 11.770 16.213 -18.703 1.00 0.00 N ATOM 1312 CA THR A 80 12.519 17.449 -18.858 1.00 0.00 C ATOM 1313 C THR A 80 13.872 17.150 -19.477 1.00 0.00 C ATOM 1314 O THR A 80 14.238 17.691 -20.519 1.00 0.00 O ATOM 1315 CB THR A 80 12.652 18.147 -17.485 1.00 0.00 C ATOM 1316 OG1 THR A 80 12.288 19.510 -17.582 1.00 0.00 O ATOM 1317 CG2 THR A 80 14.032 18.093 -16.844 1.00 0.00 C ATOM 0 H THR A 80 12.013 15.673 -17.872 1.00 0.00 H new ATOM 0 HA THR A 80 11.992 18.129 -19.527 1.00 0.00 H new ATOM 0 HB THR A 80 11.979 17.577 -16.845 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.666 20.004 -16.825 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.009 18.613 -15.886 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.319 17.054 -16.685 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.757 18.574 -17.501 1.00 0.00 H new ATOM 1325 N SER A 81 14.588 16.267 -18.812 1.00 0.00 N ATOM 1326 CA SER A 81 15.905 15.841 -19.250 1.00 0.00 C ATOM 1327 C SER A 81 16.864 17.024 -19.399 1.00 0.00 C ATOM 1328 O SER A 81 17.693 17.264 -18.524 1.00 0.00 O ATOM 1329 CB SER A 81 15.795 15.080 -20.566 1.00 0.00 C ATOM 1330 OG SER A 81 16.386 13.797 -20.467 1.00 0.00 O ATOM 0 H SER A 81 14.274 15.822 -17.950 1.00 0.00 H new ATOM 0 HA SER A 81 16.315 15.182 -18.484 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.746 14.979 -20.844 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.282 15.647 -21.359 1.00 0.00 H new ATOM 0 HG SER A 81 16.036 13.220 -21.178 1.00 0.00 H new ATOM 1336 N ARG A 82 16.739 17.757 -20.511 1.00 0.00 N ATOM 1337 CA ARG A 82 17.594 18.917 -20.783 1.00 0.00 C ATOM 1338 C ARG A 82 17.378 19.450 -22.210 1.00 0.00 C ATOM 1339 O ARG A 82 18.313 19.917 -22.859 1.00 0.00 O ATOM 1340 CB ARG A 82 19.073 18.553 -20.585 1.00 0.00 C ATOM 1341 CG ARG A 82 20.036 19.687 -20.903 1.00 0.00 C ATOM 1342 CD ARG A 82 20.975 19.967 -19.741 1.00 0.00 C ATOM 1343 NE ARG A 82 22.364 20.080 -20.177 1.00 0.00 N ATOM 1344 CZ ARG A 82 22.864 21.164 -20.762 1.00 0.00 C ATOM 1345 NH1 ARG A 82 22.092 22.220 -20.975 1.00 0.00 N ATOM 1346 NH2 ARG A 82 24.137 21.191 -21.134 1.00 0.00 N ATOM 0 H ARG A 82 16.051 17.566 -21.239 1.00 0.00 H new ATOM 0 HA ARG A 82 17.318 19.701 -20.078 1.00 0.00 H new ATOM 0 HB2 ARG A 82 19.225 18.240 -19.552 1.00 0.00 H new ATOM 0 HB3 ARG A 82 19.314 17.697 -21.216 1.00 0.00 H new ATOM 0 HG2 ARG A 82 20.618 19.433 -21.789 1.00 0.00 H new ATOM 0 HG3 ARG A 82 19.471 20.589 -21.141 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.674 20.890 -19.246 1.00 0.00 H new ATOM 0 HD3 ARG A 82 20.890 19.168 -19.005 1.00 0.00 H new ATOM 0 HE ARG A 82 22.984 19.284 -20.025 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.113 22.202 -20.690 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.477 23.051 -21.424 1.00 0.00 H new ATOM 0 HH21 ARG A 82 24.733 20.380 -20.971 1.00 0.00 H new ATOM 0 HH22 ARG A 82 24.520 22.023 -21.583 1.00 0.00 H new ATOM 1360 N THR A 83 16.138 19.395 -22.692 1.00 0.00 N ATOM 1361 CA THR A 83 15.810 19.888 -24.033 1.00 0.00 C ATOM 1362 C THR A 83 16.453 19.043 -25.132 1.00 0.00 C ATOM 1363 O THR A 83 15.756 18.462 -25.963 1.00 0.00 O ATOM 1364 CB THR A 83 16.243 21.348 -24.187 1.00 0.00 C ATOM 1365 OG1 THR A 83 17.592 21.435 -24.613 1.00 0.00 O ATOM 1366 CG2 THR A 83 16.112 22.146 -22.910 1.00 0.00 C ATOM 0 H THR A 83 15.344 19.015 -22.177 1.00 0.00 H new ATOM 0 HA THR A 83 14.728 19.813 -24.144 1.00 0.00 H new ATOM 0 HB THR A 83 15.569 21.770 -24.933 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.187 21.313 -23.844 1.00 0.00 H new ATOM 0 HG21 THR A 83 16.435 23.172 -23.087 1.00 0.00 H new ATOM 0 HG22 THR A 83 15.072 22.144 -22.585 1.00 0.00 H new ATOM 0 HG23 THR A 83 16.735 21.698 -22.136 1.00 0.00 H new ATOM 1374 N GLY A 84 17.785 18.982 -25.141 1.00 0.00 N ATOM 1375 CA GLY A 84 18.490 18.212 -26.155 1.00 0.00 C ATOM 1376 C GLY A 84 18.623 16.742 -25.799 1.00 0.00 C ATOM 1377 O GLY A 84 19.682 16.145 -25.987 1.00 0.00 O ATOM 0 H GLY A 84 18.387 19.452 -24.465 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.963 18.304 -27.105 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.484 18.636 -26.300 1.00 0.00 H new ATOM 1381 N TYR A 85 17.548 16.164 -25.279 1.00 0.00 N ATOM 1382 CA TYR A 85 17.540 14.759 -24.886 1.00 0.00 C ATOM 1383 C TYR A 85 16.783 13.900 -25.896 1.00 0.00 C ATOM 1384 O TYR A 85 16.260 14.405 -26.888 1.00 0.00 O ATOM 1385 CB TYR A 85 16.872 14.624 -23.523 1.00 0.00 C ATOM 1386 CG TYR A 85 15.379 14.885 -23.572 1.00 0.00 C ATOM 1387 CD1 TYR A 85 14.497 13.895 -23.994 1.00 0.00 C ATOM 1388 CD2 TYR A 85 14.853 16.120 -23.216 1.00 0.00 C ATOM 1389 CE1 TYR A 85 13.137 14.129 -24.057 1.00 0.00 C ATOM 1390 CE2 TYR A 85 13.493 16.362 -23.275 1.00 0.00 C ATOM 1391 CZ TYR A 85 12.639 15.363 -23.697 1.00 0.00 C ATOM 1392 OH TYR A 85 11.286 15.600 -23.756 1.00 0.00 O ATOM 0 H TYR A 85 16.665 16.649 -25.119 1.00 0.00 H new ATOM 0 HA TYR A 85 18.573 14.412 -24.845 1.00 0.00 H new ATOM 0 HB2 TYR A 85 17.048 13.621 -23.135 1.00 0.00 H new ATOM 0 HB3 TYR A 85 17.336 15.322 -22.826 1.00 0.00 H new ATOM 0 HD1 TYR A 85 14.882 12.927 -24.277 1.00 0.00 H new ATOM 0 HD2 TYR A 85 15.518 16.905 -22.887 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.467 13.349 -24.387 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.101 17.328 -22.992 1.00 0.00 H new ATOM 0 HH TYR A 85 10.800 14.764 -23.596 1.00 0.00 H new ATOM 1402 N ASN A 86 16.704 12.599 -25.601 1.00 0.00 N ATOM 1403 CA ASN A 86 15.982 11.639 -26.440 1.00 0.00 C ATOM 1404 C ASN A 86 16.434 10.213 -26.159 1.00 0.00 C ATOM 1405 O ASN A 86 17.626 9.933 -26.045 1.00 0.00 O ATOM 1406 CB ASN A 86 16.126 11.964 -27.928 1.00 0.00 C ATOM 1407 CG ASN A 86 14.837 12.528 -28.495 1.00 0.00 C ATOM 1408 OD1 ASN A 86 14.481 12.265 -29.643 1.00 0.00 O ATOM 1409 ND2 ASN A 86 14.128 13.313 -27.684 1.00 0.00 N ATOM 0 H ASN A 86 17.137 12.183 -24.777 1.00 0.00 H new ATOM 0 HA ASN A 86 14.926 11.722 -26.183 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.933 12.683 -28.069 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.403 11.062 -28.474 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.252 13.723 -28.008 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.462 13.504 -26.739 1.00 0.00 H new ATOM 1416 N GLY A 87 15.459 9.319 -26.033 1.00 0.00 N ATOM 1417 CA GLY A 87 15.748 7.929 -25.747 1.00 0.00 C ATOM 1418 C GLY A 87 15.240 7.515 -24.377 1.00 0.00 C ATOM 1419 O GLY A 87 15.652 6.489 -23.836 1.00 0.00 O ATOM 0 H GLY A 87 14.467 9.537 -26.125 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.290 7.299 -26.510 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.824 7.764 -25.800 1.00 0.00 H new ATOM 1423 N ILE A 88 14.345 8.326 -23.813 1.00 0.00 N ATOM 1424 CA ILE A 88 13.780 8.058 -22.497 1.00 0.00 C ATOM 1425 C ILE A 88 12.360 8.597 -22.404 1.00 0.00 C ATOM 1426 O ILE A 88 11.754 8.897 -23.416 1.00 0.00 O ATOM 1427 CB ILE A 88 14.637 8.701 -21.385 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.409 10.220 -21.348 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.110 8.388 -21.601 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.650 10.898 -22.679 1.00 0.00 C ATOM 0 H ILE A 88 13.996 9.178 -24.253 1.00 0.00 H new ATOM 0 HA ILE A 88 13.769 6.977 -22.359 1.00 0.00 H new ATOM 0 HB ILE A 88 14.334 8.281 -20.426 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.386 10.418 -21.028 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.068 10.660 -20.600 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.700 8.849 -20.809 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.259 7.308 -21.583 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.428 8.782 -22.566 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.471 11.969 -22.580 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.681 10.730 -22.991 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.972 10.484 -23.426 1.00 0.00 H new ATOM 1442 N TRP A 89 11.860 8.738 -21.175 1.00 0.00 N ATOM 1443 CA TRP A 89 10.517 9.269 -20.921 1.00 0.00 C ATOM 1444 C TRP A 89 10.023 8.823 -19.549 1.00 0.00 C ATOM 1445 O TRP A 89 10.397 7.755 -19.064 1.00 0.00 O ATOM 1446 CB TRP A 89 9.517 8.821 -21.992 1.00 0.00 C ATOM 1447 CG TRP A 89 9.126 9.907 -22.950 1.00 0.00 C ATOM 1448 CD1 TRP A 89 9.550 10.050 -24.240 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.225 10.996 -22.703 1.00 0.00 C ATOM 1450 NE1 TRP A 89 8.978 11.159 -24.808 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.160 11.756 -23.888 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.469 11.406 -21.598 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 7.370 12.897 -23.999 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.688 12.536 -21.714 1.00 0.00 C ATOM 1455 CH2 TRP A 89 6.642 13.271 -22.905 1.00 0.00 C ATOM 0 H TRP A 89 12.372 8.488 -20.329 1.00 0.00 H new ATOM 0 HA TRP A 89 10.587 10.356 -20.953 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.948 7.992 -22.554 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.620 8.442 -21.502 1.00 0.00 H new ATOM 0 HD1 TRP A 89 10.238 9.385 -24.741 1.00 0.00 H new ATOM 0 HE1 TRP A 89 9.136 11.486 -25.761 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.497 10.848 -20.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.334 13.466 -24.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.099 12.861 -20.869 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.019 14.151 -22.960 1.00 0.00 H new ATOM 1466 N SER A 90 9.179 9.641 -18.930 1.00 0.00 N ATOM 1467 CA SER A 90 8.636 9.317 -17.616 1.00 0.00 C ATOM 1468 C SER A 90 7.738 8.086 -17.696 1.00 0.00 C ATOM 1469 O SER A 90 7.575 7.495 -18.764 1.00 0.00 O ATOM 1470 CB SER A 90 7.853 10.506 -17.055 1.00 0.00 C ATOM 1471 OG SER A 90 6.956 11.028 -18.017 1.00 0.00 O ATOM 0 H SER A 90 8.857 10.529 -19.315 1.00 0.00 H new ATOM 0 HA SER A 90 9.467 9.097 -16.946 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.300 10.195 -16.169 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.547 11.286 -16.740 1.00 0.00 H new ATOM 0 HG SER A 90 7.424 11.679 -18.581 1.00 0.00 H new ATOM 1477 N GLU A 91 7.161 7.701 -16.564 1.00 0.00 N ATOM 1478 CA GLU A 91 6.285 6.536 -16.509 1.00 0.00 C ATOM 1479 C GLU A 91 4.874 6.885 -16.962 1.00 0.00 C ATOM 1480 O GLU A 91 4.490 6.613 -18.099 1.00 0.00 O ATOM 1481 CB GLU A 91 6.254 5.965 -15.090 1.00 0.00 C ATOM 1482 CG GLU A 91 7.552 5.287 -14.680 1.00 0.00 C ATOM 1483 CD GLU A 91 7.531 3.790 -14.919 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.431 3.239 -15.138 1.00 0.00 O ATOM 1485 OE2 GLU A 91 8.613 3.168 -14.888 1.00 0.00 O ATOM 0 H GLU A 91 7.284 8.179 -15.671 1.00 0.00 H new ATOM 0 HA GLU A 91 6.683 5.784 -17.190 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.036 6.770 -14.388 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.438 5.246 -15.014 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.379 5.728 -15.236 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.740 5.480 -13.624 1.00 0.00 H new ATOM 1492 N TRP A 92 4.109 7.479 -16.061 1.00 0.00 N ATOM 1493 CA TRP A 92 2.732 7.864 -16.354 1.00 0.00 C ATOM 1494 C TRP A 92 2.059 8.438 -15.111 1.00 0.00 C ATOM 1495 O TRP A 92 1.911 7.748 -14.102 1.00 0.00 O ATOM 1496 CB TRP A 92 1.941 6.652 -16.852 1.00 0.00 C ATOM 1497 CG TRP A 92 1.834 6.571 -18.345 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.129 5.491 -19.127 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.402 7.607 -19.234 1.00 0.00 C ATOM 1500 NE1 TRP A 92 1.904 5.791 -20.448 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.457 7.084 -20.541 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.973 8.925 -19.055 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.099 7.833 -21.660 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.618 9.668 -20.167 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.683 9.120 -21.454 1.00 0.00 C ATOM 0 H TRP A 92 4.417 7.707 -15.116 1.00 0.00 H new ATOM 0 HA TRP A 92 2.748 8.629 -17.131 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.415 5.743 -16.481 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.938 6.685 -16.426 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.487 4.540 -18.760 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.046 5.155 -21.233 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.920 9.356 -18.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.148 7.413 -22.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.285 10.688 -20.040 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.399 9.726 -22.302 1.00 0.00 H new ATOM 1516 N SER A 93 1.651 9.700 -15.186 1.00 0.00 N ATOM 1517 CA SER A 93 0.994 10.354 -14.059 1.00 0.00 C ATOM 1518 C SER A 93 -0.202 9.537 -13.581 1.00 0.00 C ATOM 1519 O SER A 93 -0.422 8.415 -14.036 1.00 0.00 O ATOM 1520 CB SER A 93 0.534 11.759 -14.450 1.00 0.00 C ATOM 1521 OG SER A 93 -0.532 11.703 -15.381 1.00 0.00 O ATOM 0 H SER A 93 1.763 10.289 -16.011 1.00 0.00 H new ATOM 0 HA SER A 93 1.716 10.428 -13.246 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.216 12.302 -13.560 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.369 12.312 -14.880 1.00 0.00 H new ATOM 0 HG SER A 93 -1.264 12.278 -15.075 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.972 10.110 -12.663 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.148 9.438 -12.125 1.00 0.00 C ATOM 1529 C GLU A 94 -3.269 9.399 -13.158 1.00 0.00 C ATOM 1530 O GLU A 94 -3.661 10.431 -13.702 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.632 10.145 -10.859 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.581 9.304 -10.021 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.448 9.577 -8.536 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.304 9.576 -8.033 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -4.486 9.790 -7.875 1.00 0.00 O ATOM 0 H GLU A 94 -0.803 11.038 -12.276 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.869 8.414 -11.876 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.769 10.418 -10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.131 11.073 -11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.607 9.502 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.388 8.248 -10.211 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.780 8.202 -13.424 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.856 8.029 -14.391 1.00 0.00 C ATOM 1544 C ALA A 95 -6.195 8.457 -13.805 1.00 0.00 C ATOM 1545 O ALA A 95 -6.922 7.645 -13.232 1.00 0.00 O ATOM 1546 CB ALA A 95 -4.919 6.582 -14.855 1.00 0.00 C ATOM 0 H ALA A 95 -3.466 7.337 -12.983 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.646 8.666 -15.250 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.727 6.466 -15.577 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.973 6.308 -15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.102 5.933 -13.999 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.519 9.737 -13.952 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.775 10.271 -13.437 1.00 0.00 C ATOM 1554 C ARG A 96 -8.905 10.057 -14.438 1.00 0.00 C ATOM 1555 O ARG A 96 -8.668 9.954 -15.641 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.630 11.762 -13.124 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.710 12.050 -11.949 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.498 12.425 -10.704 1.00 0.00 C ATOM 1559 NE ARG A 96 -6.854 13.501 -9.956 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.731 13.344 -9.262 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -5.136 12.160 -9.222 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -5.201 14.370 -8.610 1.00 0.00 N ATOM 0 H ARG A 96 -5.930 10.424 -14.423 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.020 9.737 -12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.249 12.275 -14.007 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.615 12.178 -12.914 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.097 11.173 -11.742 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.030 12.861 -12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.504 12.733 -10.990 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.603 11.550 -10.063 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.289 14.423 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.540 11.369 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.274 12.040 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.655 15.283 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.339 14.246 -8.078 1.00 0.00 H new ATOM 1576 N SER A 97 -10.132 9.991 -13.935 1.00 0.00 N ATOM 1577 CA SER A 97 -11.295 9.789 -14.791 1.00 0.00 C ATOM 1578 C SER A 97 -12.380 10.818 -14.495 1.00 0.00 C ATOM 1579 O SER A 97 -12.825 10.956 -13.356 1.00 0.00 O ATOM 1580 CB SER A 97 -11.854 8.379 -14.605 1.00 0.00 C ATOM 1581 OG SER A 97 -12.695 8.310 -13.467 1.00 0.00 O ATOM 0 H SER A 97 -10.347 10.074 -12.941 1.00 0.00 H new ATOM 0 HA SER A 97 -10.974 9.914 -15.825 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.414 8.086 -15.493 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.033 7.670 -14.498 1.00 0.00 H new ATOM 0 HG SER A 97 -12.670 9.165 -12.989 1.00 0.00 H new ATOM 1587 N TRP A 98 -12.807 11.533 -15.531 1.00 0.00 N ATOM 1588 CA TRP A 98 -13.847 12.544 -15.382 1.00 0.00 C ATOM 1589 C TRP A 98 -15.051 12.214 -16.260 1.00 0.00 C ATOM 1590 O TRP A 98 -14.934 11.474 -17.237 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.298 13.938 -15.716 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.168 14.214 -17.185 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.123 14.747 -18.003 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.020 13.980 -18.009 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.635 14.859 -19.283 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.348 14.394 -19.309 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.745 13.461 -17.776 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.448 14.305 -20.365 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.853 13.374 -18.826 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.210 13.795 -20.107 1.00 0.00 C ATOM 0 H TRP A 98 -12.450 11.431 -16.481 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.175 12.546 -14.342 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -13.952 14.689 -15.273 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.320 14.052 -15.249 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.115 15.038 -17.690 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.148 15.228 -20.083 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.460 13.132 -16.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.721 14.630 -21.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.865 12.974 -18.653 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.492 13.715 -20.910 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.207 12.760 -15.901 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.433 12.514 -16.651 1.00 0.00 C ATOM 1613 C ASP A 99 -17.708 13.641 -17.641 1.00 0.00 C ATOM 1614 O ASP A 99 -17.558 14.818 -17.314 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.615 12.359 -15.692 1.00 0.00 C ATOM 1616 CG ASP A 99 -19.838 11.775 -16.369 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -19.787 10.593 -16.772 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -20.848 12.499 -16.498 1.00 0.00 O ATOM 0 H ASP A 99 -16.321 13.376 -15.096 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.305 11.590 -17.215 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.323 11.717 -14.861 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.867 13.332 -15.270 1.00 0.00 H new ATOM 1623 N THR A 100 -18.111 13.271 -18.852 1.00 0.00 N ATOM 1624 CA THR A 100 -18.407 14.248 -19.893 1.00 0.00 C ATOM 1625 C THR A 100 -19.910 14.363 -20.123 1.00 0.00 C ATOM 1626 O THR A 100 -20.440 13.810 -21.082 1.00 0.00 O ATOM 1627 CB THR A 100 -17.713 13.859 -21.199 1.00 0.00 C ATOM 1628 OG1 THR A 100 -17.800 12.461 -21.417 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.251 14.238 -21.234 1.00 0.00 C ATOM 0 H THR A 100 -18.240 12.300 -19.137 1.00 0.00 H new ATOM 0 HA THR A 100 -18.032 15.216 -19.561 1.00 0.00 H new ATOM 0 HB THR A 100 -18.235 14.413 -21.979 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.607 12.264 -22.357 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.819 13.934 -22.187 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.152 15.317 -21.119 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.726 13.737 -20.421 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.588 15.088 -19.234 1.00 0.00 N ATOM 1638 CA GLU A 101 -22.037 15.286 -19.326 1.00 0.00 C ATOM 1639 C GLU A 101 -22.489 15.475 -20.774 1.00 0.00 C ATOM 1640 O GLU A 101 -21.713 15.911 -21.625 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.451 16.502 -18.494 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.708 17.774 -18.867 1.00 0.00 C ATOM 1643 CD GLU A 101 -21.223 18.543 -17.655 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -20.548 17.935 -16.798 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -21.518 19.753 -17.563 1.00 0.00 O ATOM 0 H GLU A 101 -20.154 15.552 -18.436 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.520 14.390 -18.936 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -23.522 16.667 -18.615 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.279 16.286 -17.440 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.855 17.521 -19.497 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -22.363 18.413 -19.459 1.00 0.00 H new ATOM 1652 N SER A 102 -23.745 15.138 -21.046 1.00 0.00 N ATOM 1653 CA SER A 102 -24.298 15.266 -22.390 1.00 0.00 C ATOM 1654 C SER A 102 -24.006 16.644 -22.975 1.00 0.00 C ATOM 1655 O SER A 102 -24.769 17.587 -22.679 1.00 0.00 O ATOM 1656 CB SER A 102 -25.806 15.019 -22.367 1.00 0.00 C ATOM 1657 OG SER A 102 -26.184 14.270 -21.225 1.00 0.00 O ATOM 1658 OXT SER A 102 -23.016 16.768 -23.727 1.00 0.00 O ATOM 0 H SER A 102 -24.400 14.774 -20.354 1.00 0.00 H new ATOM 0 HA SER A 102 -23.821 14.517 -23.023 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.334 15.973 -22.371 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.104 14.486 -23.270 1.00 0.00 H new ATOM 0 HG SER A 102 -25.623 13.469 -21.159 1.00 0.00 H new TER 1664 SER A 102