USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 968 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: C 47 ASN : amide:sc= -0.321 K(o=-9.2,f=-10!) USER MOD Set 1.2: D 48 GLN : amide:sc= -8.93! C(o=-9.2!,f=-13!) USER MOD Set 2.1: A 47 ASN : amide:sc= 0.21 K(o=-7.5,f=-8.4) USER MOD Set 2.2: B 48 GLN :FLIP amide:sc= -7.7! C(o=-12!,f=-7.5!) USER MOD Set 3.1: B 47 ASN : amide:sc= -1.09 K(o=-4.5,f=-7.4!) USER MOD Set 3.2: C 48 GLN :FLIP amide:sc= -3.43! C(o=-11!,f=-4.5!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -1.08 K(o=-4.5,f=-5.5) USER MOD Set 4.2: A 48 GLN :FLIP amide:sc= -3.38! C(o=-5.5!,f=-4.5!) USER MOD Single : A 31 SER OG : rot -178:sc= -1.64! USER MOD Single : A 37 HIS : no HD1:sc= -8.44! C(o=-8.4!,f=-11!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.328 (180deg=-1.38!) USER MOD Single : B 23 SER OG : rot 55:sc= 1.06 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -4.82! C(o=-4.8!,f=-7.7!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : B 50 LYS NZ :NH3+ 165:sc=-3.79e-05 (180deg=-0.354) USER MOD Single : C 23 SER OG : rot -51:sc= 0.725 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-8.1!) USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.0365 X(o=-0.036,f=0) USER MOD Single : C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -6.95! C(o=-6.9!,f=-11!) USER MOD Single : D 42 THR OG1 : rot -67:sc= 1.08 USER MOD Single : D 45 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5!) USER MOD Single : D 47 ASN : amide:sc= 0.393 K(o=0.39,f=-4!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 24 79.012 2.677 4.951 1.00 0.00 N ATOM 12 CA ASP A 24 79.988 3.347 4.102 1.00 0.00 C ATOM 13 C ASP A 24 79.991 2.754 2.699 1.00 0.00 C ATOM 14 O ASP A 24 81.037 2.359 2.188 1.00 0.00 O ATOM 15 CB ASP A 24 81.384 3.217 4.715 1.00 0.00 C ATOM 16 CG ASP A 24 81.456 4.009 6.017 1.00 0.00 C ATOM 17 OD1 ASP A 24 81.090 5.172 6.001 1.00 0.00 O ATOM 18 OD2 ASP A 24 81.877 3.439 7.010 1.00 0.00 O ATOM 0 HA ASP A 24 79.713 4.399 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 24 81.611 2.168 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 24 82.134 3.584 4.014 1.00 0.00 H new ATOM 23 N PRO A 25 78.847 2.689 2.070 1.00 0.00 N ATOM 24 CA PRO A 25 78.732 2.136 0.694 1.00 0.00 C ATOM 25 C PRO A 25 79.603 2.933 -0.270 1.00 0.00 C ATOM 26 O PRO A 25 79.911 2.483 -1.370 1.00 0.00 O ATOM 27 CB PRO A 25 77.230 2.265 0.361 1.00 0.00 C ATOM 28 CG PRO A 25 76.697 3.277 1.328 1.00 0.00 C ATOM 29 CD PRO A 25 77.547 3.139 2.590 1.00 0.00 C ATOM 0 HA PRO A 25 79.074 1.104 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.082 2.589 -0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.719 1.308 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 25 76.768 4.284 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.644 3.094 1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 25 77.632 4.085 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 25 77.120 2.418 3.287 1.00 0.00 H new ATOM 37 N LEU A 26 79.970 4.110 0.141 1.00 0.00 N ATOM 38 CA LEU A 26 80.790 4.976 -0.703 1.00 0.00 C ATOM 39 C LEU A 26 82.136 4.323 -1.027 1.00 0.00 C ATOM 40 O LEU A 26 82.644 4.462 -2.140 1.00 0.00 O ATOM 41 CB LEU A 26 81.020 6.318 0.006 1.00 0.00 C ATOM 42 CG LEU A 26 79.782 7.209 -0.144 1.00 0.00 C ATOM 43 CD1 LEU A 26 78.550 6.473 0.391 1.00 0.00 C ATOM 44 CD2 LEU A 26 79.991 8.499 0.651 1.00 0.00 C ATOM 0 H LEU A 26 79.724 4.505 1.049 1.00 0.00 H new ATOM 0 HA LEU A 26 80.260 5.140 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 26 81.231 6.149 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 26 81.891 6.818 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 26 79.630 7.447 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.671 7.109 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 26 78.403 5.552 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 78.698 6.234 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 26 79.113 9.136 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 80.142 8.258 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 26 80.867 9.024 0.270 1.00 0.00 H new ATOM 56 N VAL A 27 82.709 3.639 -0.074 1.00 0.00 N ATOM 57 CA VAL A 27 84.003 2.995 -0.289 1.00 0.00 C ATOM 58 C VAL A 27 83.892 1.813 -1.244 1.00 0.00 C ATOM 59 O VAL A 27 84.748 1.625 -2.109 1.00 0.00 O ATOM 60 CB VAL A 27 84.584 2.509 1.044 1.00 0.00 C ATOM 61 CG1 VAL A 27 85.951 1.864 0.800 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.744 3.692 2.002 1.00 0.00 C ATOM 0 H VAL A 27 82.314 3.506 0.857 1.00 0.00 H new ATOM 0 HA VAL A 27 84.664 3.739 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 27 83.907 1.777 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 27 86.365 1.518 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 27 85.838 1.017 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.625 2.597 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.157 3.341 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.418 4.428 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 27 83.771 4.151 2.179 1.00 0.00 H new ATOM 72 N VAL A 28 82.878 1.016 -1.069 1.00 0.00 N ATOM 73 CA VAL A 28 82.703 -0.163 -1.908 1.00 0.00 C ATOM 74 C VAL A 28 82.307 0.201 -3.346 1.00 0.00 C ATOM 75 O VAL A 28 82.623 -0.541 -4.275 1.00 0.00 O ATOM 76 CB VAL A 28 81.660 -1.112 -1.261 1.00 0.00 C ATOM 77 CG1 VAL A 28 80.244 -0.810 -1.772 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.007 -2.575 -1.581 1.00 0.00 C ATOM 0 H VAL A 28 82.156 1.149 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 28 83.662 -0.677 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 28 81.687 -0.951 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 28 79.534 -1.491 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 28 79.979 0.218 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 28 80.211 -0.943 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.269 -3.233 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 28 82.003 -2.722 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.996 -2.809 -1.187 1.00 0.00 H new ATOM 88 N ALA A 29 81.602 1.290 -3.536 1.00 0.00 N ATOM 89 CA ALA A 29 81.163 1.655 -4.885 1.00 0.00 C ATOM 90 C ALA A 29 82.333 1.917 -5.833 1.00 0.00 C ATOM 91 O ALA A 29 82.394 1.321 -6.907 1.00 0.00 O ATOM 92 CB ALA A 29 80.279 2.901 -4.818 1.00 0.00 C ATOM 0 H ALA A 29 81.318 1.935 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 29 80.603 0.808 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 29 79.954 3.171 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 29 79.407 2.696 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 29 80.845 3.726 -4.386 1.00 0.00 H new ATOM 98 N ALA A 30 83.244 2.786 -5.469 1.00 0.00 N ATOM 99 CA ALA A 30 84.359 3.065 -6.347 1.00 0.00 C ATOM 100 C ALA A 30 85.162 1.794 -6.581 1.00 0.00 C ATOM 101 O ALA A 30 85.450 1.413 -7.715 1.00 0.00 O ATOM 102 CB ALA A 30 85.238 4.097 -5.683 1.00 0.00 C ATOM 0 H ALA A 30 83.240 3.304 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 30 83.995 3.435 -7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 30 86.086 4.322 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.663 5.006 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 30 85.600 3.708 -4.731 1.00 0.00 H new ATOM 108 N SER A 31 85.497 1.156 -5.500 1.00 0.00 N ATOM 109 CA SER A 31 86.255 -0.083 -5.559 1.00 0.00 C ATOM 110 C SER A 31 85.604 -1.049 -6.555 1.00 0.00 C ATOM 111 O SER A 31 86.270 -1.594 -7.435 1.00 0.00 O ATOM 112 CB SER A 31 86.273 -0.712 -4.172 1.00 0.00 C ATOM 113 OG SER A 31 87.092 -1.874 -4.185 1.00 0.00 O ATOM 0 H SER A 31 85.262 1.465 -4.557 1.00 0.00 H new ATOM 0 HA SER A 31 87.273 0.125 -5.887 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.652 0.004 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 31 85.260 -0.973 -3.867 1.00 0.00 H new ATOM 0 HG SER A 31 87.078 -2.294 -3.300 1.00 0.00 H new ATOM 119 N ILE A 32 84.327 -1.269 -6.386 1.00 0.00 N ATOM 120 CA ILE A 32 83.590 -2.197 -7.246 1.00 0.00 C ATOM 121 C ILE A 32 83.899 -1.931 -8.723 1.00 0.00 C ATOM 122 O ILE A 32 84.162 -2.867 -9.478 1.00 0.00 O ATOM 123 CB ILE A 32 82.074 -2.064 -6.960 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.704 -2.921 -5.742 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.240 -2.527 -8.161 1.00 0.00 C ATOM 126 CD1 ILE A 32 80.311 -2.532 -5.239 1.00 0.00 C ATOM 0 H ILE A 32 83.762 -0.824 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 32 83.903 -3.218 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 32 81.858 -1.013 -6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.722 -3.977 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 32 82.439 -2.780 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.180 -2.422 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.484 -1.917 -9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.462 -3.572 -8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 32 80.053 -3.143 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 32 80.308 -1.480 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.580 -2.696 -6.030 1.00 0.00 H new ATOM 138 N ILE A 33 83.895 -0.693 -9.126 1.00 0.00 N ATOM 139 CA ILE A 33 84.209 -0.376 -10.515 1.00 0.00 C ATOM 140 C ILE A 33 85.667 -0.732 -10.794 1.00 0.00 C ATOM 141 O ILE A 33 86.010 -1.222 -11.869 1.00 0.00 O ATOM 142 CB ILE A 33 83.963 1.109 -10.805 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.484 1.431 -10.565 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.324 1.411 -12.265 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.247 2.937 -10.722 1.00 0.00 C ATOM 0 H ILE A 33 83.683 0.111 -8.535 1.00 0.00 H new ATOM 0 HA ILE A 33 83.558 -0.958 -11.167 1.00 0.00 H new ATOM 0 HB ILE A 33 84.581 1.719 -10.147 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.863 0.881 -11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.190 1.110 -9.566 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.149 2.467 -12.472 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.375 1.177 -12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.705 0.804 -12.926 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.194 3.159 -10.550 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.855 3.479 -9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.523 3.246 -11.730 1.00 0.00 H new ATOM 157 N GLY A 34 86.500 -0.464 -9.828 1.00 0.00 N ATOM 158 CA GLY A 34 87.927 -0.733 -9.955 1.00 0.00 C ATOM 159 C GLY A 34 88.192 -2.152 -10.464 1.00 0.00 C ATOM 160 O GLY A 34 88.959 -2.344 -11.405 1.00 0.00 O ATOM 0 H GLY A 34 86.225 -0.057 -8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.374 -0.012 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.411 -0.597 -8.988 1.00 0.00 H new ATOM 164 N ILE A 35 87.576 -3.124 -9.852 1.00 0.00 N ATOM 165 CA ILE A 35 87.775 -4.512 -10.267 1.00 0.00 C ATOM 166 C ILE A 35 87.133 -4.772 -11.627 1.00 0.00 C ATOM 167 O ILE A 35 87.600 -5.613 -12.395 1.00 0.00 O ATOM 168 CB ILE A 35 87.171 -5.464 -9.231 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.725 -5.128 -7.846 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.539 -6.907 -9.586 1.00 0.00 C ATOM 171 CD1 ILE A 35 87.022 -5.984 -6.791 1.00 0.00 C ATOM 0 H ILE A 35 86.934 -2.998 -9.069 1.00 0.00 H new ATOM 0 HA ILE A 35 88.848 -4.689 -10.345 1.00 0.00 H new ATOM 0 HB ILE A 35 86.087 -5.354 -9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.799 -5.309 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.575 -4.070 -7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 35 87.109 -7.584 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 35 87.147 -7.150 -10.574 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.624 -7.016 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.418 -5.743 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.951 -5.781 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 35 87.195 -7.039 -7.004 1.00 0.00 H new ATOM 183 N LEU A 36 86.074 -4.066 -11.906 1.00 0.00 N ATOM 184 CA LEU A 36 85.360 -4.231 -13.169 1.00 0.00 C ATOM 185 C LEU A 36 86.248 -3.876 -14.363 1.00 0.00 C ATOM 186 O LEU A 36 86.078 -4.422 -15.453 1.00 0.00 O ATOM 187 CB LEU A 36 84.114 -3.331 -13.169 1.00 0.00 C ATOM 188 CG LEU A 36 83.206 -3.653 -14.374 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.342 -4.888 -14.081 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.291 -2.453 -14.661 1.00 0.00 C ATOM 0 H LEU A 36 85.674 -3.365 -11.282 1.00 0.00 H new ATOM 0 HA LEU A 36 85.069 -5.277 -13.264 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.559 -3.471 -12.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.416 -2.284 -13.205 1.00 0.00 H new ATOM 0 HG LEU A 36 83.835 -3.858 -15.240 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.708 -5.101 -14.942 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.987 -5.745 -13.885 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.717 -4.696 -13.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.649 -2.680 -15.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.674 -2.248 -13.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.899 -1.578 -14.889 1.00 0.00 H new ATOM 202 N HIS A 37 87.163 -2.965 -14.168 1.00 0.00 N ATOM 203 CA HIS A 37 88.042 -2.544 -15.257 1.00 0.00 C ATOM 204 C HIS A 37 89.069 -3.614 -15.634 1.00 0.00 C ATOM 205 O HIS A 37 89.465 -3.712 -16.795 1.00 0.00 O ATOM 206 CB HIS A 37 88.742 -1.215 -14.894 1.00 0.00 C ATOM 207 CG HIS A 37 89.989 -1.431 -14.063 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.978 -2.345 -14.402 1.00 0.00 N ATOM 209 CD2 HIS A 37 90.431 -0.822 -12.914 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.949 -2.260 -13.476 1.00 0.00 C ATOM 211 NE2 HIS A 37 91.666 -1.347 -12.545 1.00 0.00 N ATOM 0 H HIS A 37 87.329 -2.496 -13.278 1.00 0.00 H new ATOM 0 HA HIS A 37 87.416 -2.392 -16.136 1.00 0.00 H new ATOM 0 HB2 HIS A 37 89.005 -0.684 -15.809 1.00 0.00 H new ATOM 0 HB3 HIS A 37 88.048 -0.579 -14.345 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.899 -0.051 -12.377 1.00 0.00 H new ATOM 0 HE1 HIS A 37 92.848 -2.858 -13.485 1.00 0.00 H new ATOM 0 HE2 HIS A 37 92.233 -1.089 -11.737 1.00 0.00 H new ATOM 220 N PHE A 38 89.522 -4.369 -14.670 1.00 0.00 N ATOM 221 CA PHE A 38 90.541 -5.385 -14.936 1.00 0.00 C ATOM 222 C PHE A 38 90.091 -6.385 -16.003 1.00 0.00 C ATOM 223 O PHE A 38 90.814 -6.628 -16.968 1.00 0.00 O ATOM 224 CB PHE A 38 90.883 -6.127 -13.644 1.00 0.00 C ATOM 225 CG PHE A 38 91.977 -7.132 -13.916 1.00 0.00 C ATOM 226 CD1 PHE A 38 93.312 -6.714 -13.966 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.658 -8.480 -14.119 1.00 0.00 C ATOM 228 CE1 PHE A 38 94.327 -7.644 -14.219 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.673 -9.409 -14.372 1.00 0.00 C ATOM 230 CZ PHE A 38 94.008 -8.991 -14.422 1.00 0.00 C ATOM 0 H PHE A 38 89.215 -4.312 -13.699 1.00 0.00 H new ATOM 0 HA PHE A 38 91.425 -4.872 -15.316 1.00 0.00 H new ATOM 0 HB2 PHE A 38 91.206 -5.420 -12.880 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.998 -6.632 -13.257 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.559 -5.674 -13.809 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.628 -8.803 -14.080 1.00 0.00 H new ATOM 0 HE1 PHE A 38 95.357 -7.322 -14.258 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.427 -10.449 -14.529 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.792 -9.708 -14.617 1.00 0.00 H new ATOM 240 N ILE A 39 88.931 -6.958 -15.833 1.00 0.00 N ATOM 241 CA ILE A 39 88.439 -7.934 -16.804 1.00 0.00 C ATOM 242 C ILE A 39 88.427 -7.325 -18.207 1.00 0.00 C ATOM 243 O ILE A 39 88.657 -8.018 -19.196 1.00 0.00 O ATOM 244 CB ILE A 39 87.022 -8.406 -16.430 1.00 0.00 C ATOM 245 CG1 ILE A 39 87.071 -9.280 -15.163 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.436 -9.239 -17.578 1.00 0.00 C ATOM 247 CD1 ILE A 39 87.333 -8.418 -13.924 1.00 0.00 C ATOM 0 H ILE A 39 88.306 -6.779 -15.047 1.00 0.00 H new ATOM 0 HA ILE A 39 89.109 -8.794 -16.792 1.00 0.00 H new ATOM 0 HB ILE A 39 86.400 -7.530 -16.247 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.129 -9.816 -15.047 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.855 -10.031 -15.263 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.433 -9.572 -17.311 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.388 -8.631 -18.481 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.070 -10.107 -17.758 1.00 0.00 H new ATOM 0 HD11 ILE A 39 87.364 -9.053 -13.039 1.00 0.00 H new ATOM 0 HD12 ILE A 39 88.287 -7.903 -14.034 1.00 0.00 H new ATOM 0 HD13 ILE A 39 86.534 -7.684 -13.816 1.00 0.00 H new ATOM 259 N ALA A 40 88.177 -6.051 -18.282 1.00 0.00 N ATOM 260 CA ALA A 40 88.163 -5.366 -19.568 1.00 0.00 C ATOM 261 C ALA A 40 89.581 -5.191 -20.102 1.00 0.00 C ATOM 262 O ALA A 40 89.801 -5.094 -21.306 1.00 0.00 O ATOM 263 CB ALA A 40 87.486 -4.003 -19.428 1.00 0.00 C ATOM 0 H ALA A 40 87.979 -5.455 -17.478 1.00 0.00 H new ATOM 0 HA ALA A 40 87.600 -5.974 -20.276 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.480 -3.499 -20.394 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.461 -4.140 -19.084 1.00 0.00 H new ATOM 0 HB3 ALA A 40 88.033 -3.397 -18.706 1.00 0.00 H new ATOM 269 N TRP A 41 90.515 -5.088 -19.201 1.00 0.00 N ATOM 270 CA TRP A 41 91.905 -4.859 -19.556 1.00 0.00 C ATOM 271 C TRP A 41 92.473 -5.953 -20.459 1.00 0.00 C ATOM 272 O TRP A 41 93.106 -5.662 -21.474 1.00 0.00 O ATOM 273 CB TRP A 41 92.724 -4.789 -18.268 1.00 0.00 C ATOM 274 CG TRP A 41 94.067 -4.225 -18.565 1.00 0.00 C ATOM 275 CD1 TRP A 41 95.008 -4.829 -19.319 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.631 -2.959 -18.128 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.115 -4.001 -19.392 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.929 -2.837 -18.669 1.00 0.00 C ATOM 279 CE3 TRP A 41 94.144 -1.911 -17.326 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.716 -1.712 -18.425 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.937 -0.780 -17.072 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.222 -0.681 -17.624 1.00 0.00 C ATOM 0 H TRP A 41 90.345 -5.159 -18.198 1.00 0.00 H new ATOM 0 HA TRP A 41 91.960 -3.925 -20.116 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.212 -4.169 -17.532 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.823 -5.784 -17.833 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.914 -5.797 -19.788 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.963 -4.222 -19.914 1.00 0.00 H new ATOM 0 HE3 TRP A 41 93.153 -1.977 -16.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.704 -1.639 -18.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.556 0.016 -16.450 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.828 0.191 -17.430 1.00 0.00 H new ATOM 293 N THR A 42 92.294 -7.179 -20.068 1.00 0.00 N ATOM 294 CA THR A 42 92.842 -8.305 -20.824 1.00 0.00 C ATOM 295 C THR A 42 92.546 -8.192 -22.319 1.00 0.00 C ATOM 296 O THR A 42 93.449 -8.365 -23.137 1.00 0.00 O ATOM 297 CB THR A 42 92.276 -9.625 -20.288 1.00 0.00 C ATOM 298 OG1 THR A 42 92.305 -10.604 -21.317 1.00 0.00 O ATOM 299 CG2 THR A 42 90.839 -9.410 -19.831 1.00 0.00 C ATOM 0 H THR A 42 91.774 -7.443 -19.231 1.00 0.00 H new ATOM 0 HA THR A 42 93.924 -8.285 -20.695 1.00 0.00 H new ATOM 0 HB THR A 42 92.879 -9.966 -19.446 1.00 0.00 H new ATOM 0 HG1 THR A 42 91.945 -11.449 -20.975 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.434 -10.347 -19.449 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.817 -8.658 -19.043 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.236 -9.071 -20.673 1.00 0.00 H new ATOM 307 N ILE A 43 91.321 -7.916 -22.687 1.00 0.00 N ATOM 308 CA ILE A 43 91.010 -7.809 -24.112 1.00 0.00 C ATOM 309 C ILE A 43 91.772 -6.638 -24.741 1.00 0.00 C ATOM 310 O ILE A 43 92.208 -6.722 -25.889 1.00 0.00 O ATOM 311 CB ILE A 43 89.501 -7.659 -24.351 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.933 -6.529 -23.492 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.796 -8.970 -23.990 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.539 -6.154 -24.001 1.00 0.00 C ATOM 0 H ILE A 43 90.537 -7.763 -22.053 1.00 0.00 H new ATOM 0 HA ILE A 43 91.330 -8.734 -24.591 1.00 0.00 H new ATOM 0 HB ILE A 43 89.334 -7.423 -25.402 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.879 -6.842 -22.449 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.592 -5.662 -23.531 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.724 -8.865 -24.159 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.185 -9.776 -24.613 1.00 0.00 H new ATOM 0 HG23 ILE A 43 88.977 -9.203 -22.941 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.133 -5.348 -23.389 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.607 -5.824 -25.038 1.00 0.00 H new ATOM 0 HD13 ILE A 43 86.883 -7.022 -23.939 1.00 0.00 H new ATOM 326 N GLY A 44 91.923 -5.568 -24.001 1.00 0.00 N ATOM 327 CA GLY A 44 92.633 -4.386 -24.498 1.00 0.00 C ATOM 328 C GLY A 44 94.126 -4.660 -24.694 1.00 0.00 C ATOM 329 O GLY A 44 94.771 -4.051 -25.549 1.00 0.00 O ATOM 0 H GLY A 44 91.568 -5.478 -23.049 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.194 -4.070 -25.444 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.504 -3.562 -23.796 1.00 0.00 H new ATOM 333 N HIS A 45 94.660 -5.553 -23.910 1.00 0.00 N ATOM 334 CA HIS A 45 96.080 -5.892 -24.006 1.00 0.00 C ATOM 335 C HIS A 45 96.424 -6.452 -25.389 1.00 0.00 C ATOM 336 O HIS A 45 97.562 -6.344 -25.846 1.00 0.00 O ATOM 337 CB HIS A 45 96.453 -6.906 -22.930 1.00 0.00 C ATOM 338 CG HIS A 45 97.952 -7.047 -22.878 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.580 -8.278 -22.772 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.963 -6.115 -22.918 1.00 0.00 C ATOM 341 CE1 HIS A 45 99.909 -8.057 -22.753 1.00 0.00 C ATOM 342 NE2 HIS A 45 100.196 -6.756 -22.841 1.00 0.00 N ATOM 0 H HIS A 45 94.147 -6.067 -23.194 1.00 0.00 H new ATOM 0 HA HIS A 45 96.654 -4.978 -23.855 1.00 0.00 H new ATOM 0 HB2 HIS A 45 96.073 -6.582 -21.961 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.993 -7.870 -23.147 1.00 0.00 H new ATOM 0 HD1 HIS A 45 98.120 -9.187 -22.718 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.821 -5.047 -22.997 1.00 0.00 H new ATOM 0 HE1 HIS A 45 100.652 -8.837 -22.676 1.00 0.00 H new ATOM 351 N LEU A 46 95.463 -7.074 -26.014 1.00 0.00 N ATOM 352 CA LEU A 46 95.669 -7.697 -27.325 1.00 0.00 C ATOM 353 C LEU A 46 96.449 -6.796 -28.282 1.00 0.00 C ATOM 354 O LEU A 46 97.167 -7.304 -29.146 1.00 0.00 O ATOM 355 CB LEU A 46 94.303 -8.101 -27.944 1.00 0.00 C ATOM 356 CG LEU A 46 93.595 -6.949 -28.732 1.00 0.00 C ATOM 357 CD1 LEU A 46 93.559 -5.620 -27.930 1.00 0.00 C ATOM 358 CD2 LEU A 46 94.239 -6.731 -30.132 1.00 0.00 C ATOM 0 H LEU A 46 94.517 -7.172 -25.647 1.00 0.00 H new ATOM 0 HA LEU A 46 96.273 -8.591 -27.170 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.456 -8.946 -28.615 1.00 0.00 H new ATOM 0 HB3 LEU A 46 93.642 -8.442 -27.148 1.00 0.00 H new ATOM 0 HG LEU A 46 92.563 -7.267 -28.880 1.00 0.00 H new ATOM 0 HD11 LEU A 46 93.058 -4.853 -28.520 1.00 0.00 H new ATOM 0 HD12 LEU A 46 93.016 -5.773 -26.997 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.577 -5.300 -27.709 1.00 0.00 H new ATOM 0 HD21 LEU A 46 93.721 -5.923 -30.649 1.00 0.00 H new ATOM 0 HD22 LEU A 46 95.290 -6.469 -30.012 1.00 0.00 H new ATOM 0 HD23 LEU A 46 94.158 -7.647 -30.717 1.00 0.00 H new ATOM 370 N ASN A 47 96.353 -5.506 -28.145 1.00 0.00 N ATOM 371 CA ASN A 47 97.116 -4.638 -29.042 1.00 0.00 C ATOM 372 C ASN A 47 98.607 -4.982 -28.946 1.00 0.00 C ATOM 373 O ASN A 47 99.265 -5.225 -29.958 1.00 0.00 O ATOM 374 CB ASN A 47 96.893 -3.170 -28.671 1.00 0.00 C ATOM 375 CG ASN A 47 95.509 -2.723 -29.133 1.00 0.00 C ATOM 376 OD1 ASN A 47 95.110 -3.004 -30.264 1.00 0.00 O ATOM 377 ND2 ASN A 47 94.746 -2.043 -28.321 1.00 0.00 N ATOM 0 H ASN A 47 95.779 -5.028 -27.450 1.00 0.00 H new ATOM 0 HA ASN A 47 96.776 -4.796 -30.065 1.00 0.00 H new ATOM 0 HB2 ASN A 47 96.986 -3.040 -27.593 1.00 0.00 H new ATOM 0 HB3 ASN A 47 97.659 -2.548 -29.134 1.00 0.00 H new ATOM 0 HD21 ASN A 47 93.819 -1.744 -28.623 1.00 0.00 H new ATOM 0 HD22 ASN A 47 95.077 -1.811 -27.385 1.00 0.00 H new ATOM 384 N GLN A 48 99.117 -5.003 -27.742 1.00 0.00 N ATOM 385 CA GLN A 48 100.523 -5.321 -27.517 1.00 0.00 C ATOM 386 C GLN A 48 100.883 -6.682 -28.116 1.00 0.00 C ATOM 387 O GLN A 48 101.715 -6.769 -29.019 1.00 0.00 O ATOM 388 CB GLN A 48 100.824 -5.330 -26.012 1.00 0.00 C ATOM 389 CG GLN A 48 102.333 -5.531 -25.771 1.00 0.00 C ATOM 390 CD GLN A 48 102.681 -7.017 -25.726 1.00 0.00 C ATOM 391 OE1 GLN A 48 103.025 -7.632 -26.825 1.00 0.00 O flip ATOM 392 NE2 GLN A 48 102.644 -7.631 -24.660 1.00 0.00 N flip ATOM 0 H GLN A 48 98.587 -4.805 -26.893 1.00 0.00 H new ATOM 0 HA GLN A 48 101.124 -4.556 -28.008 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.499 -4.391 -25.563 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.262 -6.127 -25.526 1.00 0.00 H new ATOM 0 HG2 GLN A 48 102.901 -5.044 -26.564 1.00 0.00 H new ATOM 0 HG3 GLN A 48 102.623 -5.056 -24.833 1.00 0.00 H new ATOM 0 HE21 GLN A 48 102.375 -7.148 -23.803 1.00 0.00 H new ATOM 0 HE22 GLN A 48 102.882 -8.622 -24.634 1.00 0.00 H new ATOM 401 N ILE A 49 100.270 -7.722 -27.612 1.00 0.00 N ATOM 402 CA ILE A 49 100.546 -9.076 -28.100 1.00 0.00 C ATOM 403 C ILE A 49 100.653 -9.097 -29.623 1.00 0.00 C ATOM 404 O ILE A 49 101.702 -9.428 -30.176 1.00 0.00 O ATOM 405 CB ILE A 49 99.428 -10.032 -27.667 1.00 0.00 C ATOM 406 CG1 ILE A 49 99.193 -9.920 -26.153 1.00 0.00 C ATOM 407 CG2 ILE A 49 99.814 -11.471 -28.021 1.00 0.00 C ATOM 408 CD1 ILE A 49 100.506 -10.124 -25.386 1.00 0.00 C ATOM 0 H ILE A 49 99.576 -7.672 -26.866 1.00 0.00 H new ATOM 0 HA ILE A 49 101.496 -9.397 -27.672 1.00 0.00 H new ATOM 0 HB ILE A 49 98.510 -9.762 -28.190 1.00 0.00 H new ATOM 0 HG12 ILE A 49 98.775 -8.942 -25.916 1.00 0.00 H new ATOM 0 HG13 ILE A 49 98.462 -10.664 -25.837 1.00 0.00 H new ATOM 0 HG21 ILE A 49 99.017 -12.148 -27.712 1.00 0.00 H new ATOM 0 HG22 ILE A 49 99.963 -11.553 -29.098 1.00 0.00 H new ATOM 0 HG23 ILE A 49 100.737 -11.737 -27.506 1.00 0.00 H new ATOM 0 HD11 ILE A 49 100.319 -10.041 -24.315 1.00 0.00 H new ATOM 0 HD12 ILE A 49 100.908 -11.113 -25.608 1.00 0.00 H new ATOM 0 HD13 ILE A 49 101.226 -9.364 -25.688 1.00 0.00 H new ATOM 420 N LYS A 50 99.579 -8.757 -30.278 1.00 0.00 N ATOM 421 CA LYS A 50 99.556 -8.747 -31.735 1.00 0.00 C ATOM 422 C LYS A 50 100.622 -7.797 -32.284 1.00 0.00 C ATOM 423 O LYS A 50 101.622 -8.234 -32.855 1.00 0.00 O ATOM 424 CB LYS A 50 98.159 -8.321 -32.226 1.00 0.00 C ATOM 425 CG LYS A 50 97.863 -8.938 -33.599 1.00 0.00 C ATOM 426 CD LYS A 50 98.900 -8.461 -34.619 1.00 0.00 C ATOM 427 CE LYS A 50 98.404 -8.765 -36.034 1.00 0.00 C ATOM 428 NZ LYS A 50 97.093 -8.093 -36.257 1.00 0.00 N ATOM 0 H LYS A 50 98.702 -8.481 -29.837 1.00 0.00 H new ATOM 0 HA LYS A 50 99.775 -9.751 -32.098 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.402 -8.637 -31.508 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.105 -7.234 -32.289 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.881 -10.026 -33.530 1.00 0.00 H new ATOM 0 HG3 LYS A 50 96.862 -8.656 -33.926 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.072 -7.391 -34.505 1.00 0.00 H new ATOM 0 HD3 LYS A 50 99.854 -8.958 -34.442 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.132 -8.419 -36.768 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.301 -9.841 -36.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.985 -7.868 -37.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.323 -8.726 -35.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.054 -7.215 -35.701 1.00 0.00 H new ATOM 442 N ARG A 51 100.400 -6.524 -32.115 1.00 0.00 N ATOM 443 CA ARG A 51 101.340 -5.521 -32.602 1.00 0.00 C ATOM 444 C ARG A 51 102.657 -5.598 -31.834 1.00 0.00 C ATOM 445 O ARG A 51 102.785 -5.038 -30.744 1.00 0.00 O ATOM 446 CB ARG A 51 100.732 -4.127 -32.445 1.00 0.00 C ATOM 447 CG ARG A 51 101.653 -3.084 -33.078 1.00 0.00 C ATOM 448 CD ARG A 51 100.986 -1.712 -32.996 1.00 0.00 C ATOM 449 NE ARG A 51 101.794 -0.709 -33.677 1.00 0.00 N ATOM 450 CZ ARG A 51 101.416 0.539 -33.728 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.295 0.906 -33.168 1.00 0.00 N ATOM 452 NH2 ARG A 51 102.158 1.421 -34.338 1.00 0.00 N ATOM 0 H ARG A 51 99.579 -6.143 -31.645 1.00 0.00 H new ATOM 0 HA ARG A 51 101.541 -5.716 -33.655 1.00 0.00 H new ATOM 0 HB2 ARG A 51 99.751 -4.093 -32.918 1.00 0.00 H new ATOM 0 HB3 ARG A 51 100.585 -3.902 -31.389 1.00 0.00 H new ATOM 0 HG2 ARG A 51 102.613 -3.067 -32.561 1.00 0.00 H new ATOM 0 HG3 ARG A 51 101.855 -3.342 -34.118 1.00 0.00 H new ATOM 0 HD2 ARG A 51 99.995 -1.756 -33.447 1.00 0.00 H new ATOM 0 HD3 ARG A 51 100.849 -1.430 -31.952 1.00 0.00 H new ATOM 0 HE ARG A 51 102.669 -0.987 -34.121 1.00 0.00 H new ATOM 0 HH11 ARG A 51 99.714 0.217 -32.690 1.00 0.00 H new ATOM 0 HH12 ARG A 51 100.000 1.882 -33.208 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.034 1.135 -34.775 1.00 0.00 H new ATOM 0 HH22 ARG A 51 101.862 2.396 -34.378 1.00 0.00 H new ATOM 466 N GLY A 52 103.614 -6.283 -32.399 1.00 0.00 N ATOM 467 CA GLY A 52 104.918 -6.428 -31.761 1.00 0.00 C ATOM 468 C GLY A 52 105.725 -5.139 -31.870 1.00 0.00 C ATOM 0 H GLY A 52 103.527 -6.754 -33.300 1.00 0.00 H new ATOM 0 HA2 GLY A 52 104.786 -6.691 -30.712 1.00 0.00 H new ATOM 0 HA3 GLY A 52 105.467 -7.246 -32.228 1.00 0.00 H new ATOM 473 N SER B 23 86.613 18.357 5.041 1.00 0.00 N ATOM 474 CA SER B 23 85.412 18.413 4.160 1.00 0.00 C ATOM 475 C SER B 23 85.841 18.220 2.709 1.00 0.00 C ATOM 476 O SER B 23 85.903 19.178 1.940 1.00 0.00 O ATOM 477 CB SER B 23 84.726 19.769 4.325 1.00 0.00 C ATOM 478 OG SER B 23 85.623 20.800 3.932 1.00 0.00 O ATOM 0 HA SER B 23 84.714 17.622 4.436 1.00 0.00 H new ATOM 0 HB2 SER B 23 83.821 19.808 3.719 1.00 0.00 H new ATOM 0 HB3 SER B 23 84.421 19.912 5.362 1.00 0.00 H new ATOM 0 HG SER B 23 85.937 20.630 3.020 1.00 0.00 H new ATOM 483 N ASP B 24 86.130 16.997 2.348 1.00 0.00 N ATOM 484 CA ASP B 24 86.553 16.689 0.985 1.00 0.00 C ATOM 485 C ASP B 24 86.217 15.238 0.640 1.00 0.00 C ATOM 486 O ASP B 24 87.090 14.375 0.654 1.00 0.00 O ATOM 487 CB ASP B 24 88.060 16.912 0.844 1.00 0.00 C ATOM 488 CG ASP B 24 88.398 18.370 1.137 1.00 0.00 C ATOM 489 OD1 ASP B 24 88.202 19.191 0.257 1.00 0.00 O ATOM 490 OD2 ASP B 24 88.850 18.643 2.237 1.00 0.00 O ATOM 0 H ASP B 24 86.084 16.190 2.971 1.00 0.00 H new ATOM 0 HA ASP B 24 86.023 17.349 0.299 1.00 0.00 H new ATOM 0 HB2 ASP B 24 88.599 16.259 1.531 1.00 0.00 H new ATOM 0 HB3 ASP B 24 88.383 16.650 -0.164 1.00 0.00 H new ATOM 495 N PRO B 25 84.973 14.964 0.335 1.00 0.00 N ATOM 496 CA PRO B 25 84.504 13.587 -0.026 1.00 0.00 C ATOM 497 C PRO B 25 85.408 12.912 -1.060 1.00 0.00 C ATOM 498 O PRO B 25 85.079 12.846 -2.242 1.00 0.00 O ATOM 499 CB PRO B 25 83.094 13.837 -0.578 1.00 0.00 C ATOM 500 CG PRO B 25 82.625 15.067 0.125 1.00 0.00 C ATOM 501 CD PRO B 25 83.867 15.939 0.307 1.00 0.00 C ATOM 0 HA PRO B 25 84.520 12.903 0.822 1.00 0.00 H new ATOM 0 HB2 PRO B 25 83.111 13.981 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO B 25 82.435 12.992 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO B 25 81.865 15.586 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO B 25 82.175 14.821 1.087 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.981 16.651 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO B 25 83.819 16.518 1.229 1.00 0.00 H new ATOM 509 N LEU B 26 86.524 12.414 -0.603 1.00 0.00 N ATOM 510 CA LEU B 26 87.475 11.733 -1.479 1.00 0.00 C ATOM 511 C LEU B 26 86.912 10.392 -1.939 1.00 0.00 C ATOM 512 O LEU B 26 87.049 10.014 -3.101 1.00 0.00 O ATOM 513 CB LEU B 26 88.789 11.495 -0.720 1.00 0.00 C ATOM 514 CG LEU B 26 89.586 12.819 -0.579 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.323 12.846 0.765 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.599 12.948 -1.727 1.00 0.00 C ATOM 0 H LEU B 26 86.810 12.461 0.375 1.00 0.00 H new ATOM 0 HA LEU B 26 87.656 12.359 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.576 11.086 0.267 1.00 0.00 H new ATOM 0 HB3 LEU B 26 89.392 10.756 -1.248 1.00 0.00 H new ATOM 0 HG LEU B 26 88.889 13.656 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.880 13.779 0.856 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.600 12.774 1.578 1.00 0.00 H new ATOM 0 HD13 LEU B 26 91.014 12.004 0.818 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.154 13.880 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU B 26 91.292 12.108 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.071 12.948 -2.680 1.00 0.00 H new ATOM 528 N VAL B 27 86.321 9.676 -1.028 1.00 0.00 N ATOM 529 CA VAL B 27 85.777 8.366 -1.346 1.00 0.00 C ATOM 530 C VAL B 27 84.780 8.432 -2.495 1.00 0.00 C ATOM 531 O VAL B 27 84.897 7.675 -3.459 1.00 0.00 O ATOM 532 CB VAL B 27 85.085 7.782 -0.117 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.706 6.335 -0.403 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.032 7.821 1.083 1.00 0.00 C ATOM 0 H VAL B 27 86.198 9.966 -0.058 1.00 0.00 H new ATOM 0 HA VAL B 27 86.608 7.730 -1.651 1.00 0.00 H new ATOM 0 HB VAL B 27 84.194 8.368 0.108 1.00 0.00 H new ATOM 0 HG11 VAL B 27 84.211 5.909 0.470 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.030 6.298 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.605 5.761 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL B 27 85.531 7.403 1.956 1.00 0.00 H new ATOM 0 HG22 VAL B 27 86.924 7.235 0.862 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.317 8.853 1.288 1.00 0.00 H new ATOM 544 N VAL B 28 83.823 9.317 -2.413 1.00 0.00 N ATOM 545 CA VAL B 28 82.829 9.458 -3.471 1.00 0.00 C ATOM 546 C VAL B 28 83.437 10.097 -4.714 1.00 0.00 C ATOM 547 O VAL B 28 82.928 9.931 -5.823 1.00 0.00 O ATOM 548 CB VAL B 28 81.644 10.296 -2.981 1.00 0.00 C ATOM 549 CG1 VAL B 28 82.083 11.747 -2.798 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.514 10.234 -4.011 1.00 0.00 C ATOM 0 H VAL B 28 83.701 9.957 -1.628 1.00 0.00 H new ATOM 0 HA VAL B 28 82.477 8.461 -3.734 1.00 0.00 H new ATOM 0 HB VAL B 28 81.292 9.900 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL B 28 81.238 12.341 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL B 28 82.887 11.794 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL B 28 82.437 12.143 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL B 28 79.671 10.830 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.868 10.628 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL B 28 80.197 9.199 -4.142 1.00 0.00 H new ATOM 560 N ALA B 29 84.497 10.834 -4.521 1.00 0.00 N ATOM 561 CA ALA B 29 85.154 11.514 -5.627 1.00 0.00 C ATOM 562 C ALA B 29 85.673 10.533 -6.672 1.00 0.00 C ATOM 563 O ALA B 29 85.680 10.851 -7.855 1.00 0.00 O ATOM 564 CB ALA B 29 86.315 12.371 -5.118 1.00 0.00 C ATOM 0 H ALA B 29 84.932 10.985 -3.611 1.00 0.00 H new ATOM 0 HA ALA B 29 84.405 12.151 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.794 12.872 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.937 13.117 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA B 29 87.042 11.735 -4.612 1.00 0.00 H new ATOM 570 N ALA B 30 86.117 9.368 -6.272 1.00 0.00 N ATOM 571 CA ALA B 30 86.614 8.436 -7.274 1.00 0.00 C ATOM 572 C ALA B 30 85.468 7.843 -8.097 1.00 0.00 C ATOM 573 O ALA B 30 85.474 7.910 -9.326 1.00 0.00 O ATOM 574 CB ALA B 30 87.381 7.329 -6.594 1.00 0.00 C ATOM 0 H ALA B 30 86.149 9.044 -5.305 1.00 0.00 H new ATOM 0 HA ALA B 30 87.271 8.979 -7.953 1.00 0.00 H new ATOM 0 HB1 ALA B 30 87.753 6.631 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.221 7.753 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.723 6.802 -5.902 1.00 0.00 H new ATOM 580 N SER B 31 84.516 7.262 -7.418 1.00 0.00 N ATOM 581 CA SER B 31 83.368 6.637 -8.087 1.00 0.00 C ATOM 582 C SER B 31 82.719 7.561 -9.122 1.00 0.00 C ATOM 583 O SER B 31 82.142 7.094 -10.105 1.00 0.00 O ATOM 584 CB SER B 31 82.318 6.252 -7.048 1.00 0.00 C ATOM 585 OG SER B 31 81.134 5.828 -7.710 1.00 0.00 O ATOM 0 H SER B 31 84.497 7.200 -6.400 1.00 0.00 H new ATOM 0 HA SER B 31 83.742 5.756 -8.609 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.697 5.454 -6.410 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.102 7.102 -6.401 1.00 0.00 H new ATOM 0 HG SER B 31 80.459 5.579 -7.045 1.00 0.00 H new ATOM 591 N ILE B 32 82.812 8.842 -8.901 1.00 0.00 N ATOM 592 CA ILE B 32 82.219 9.805 -9.837 1.00 0.00 C ATOM 593 C ILE B 32 83.022 9.854 -11.144 1.00 0.00 C ATOM 594 O ILE B 32 82.455 9.990 -12.227 1.00 0.00 O ATOM 595 CB ILE B 32 82.088 11.207 -9.183 1.00 0.00 C ATOM 596 CG1 ILE B 32 80.807 11.898 -9.677 1.00 0.00 C ATOM 597 CG2 ILE B 32 83.287 12.101 -9.527 1.00 0.00 C ATOM 598 CD1 ILE B 32 80.681 13.273 -9.019 1.00 0.00 C ATOM 0 H ILE B 32 83.283 9.257 -8.097 1.00 0.00 H new ATOM 0 HA ILE B 32 81.211 9.471 -10.085 1.00 0.00 H new ATOM 0 HB ILE B 32 82.052 11.063 -8.103 1.00 0.00 H new ATOM 0 HG12 ILE B 32 80.833 12.003 -10.762 1.00 0.00 H new ATOM 0 HG13 ILE B 32 79.936 11.287 -9.437 1.00 0.00 H new ATOM 0 HG21 ILE B 32 83.163 13.075 -9.053 1.00 0.00 H new ATOM 0 HG22 ILE B 32 84.204 11.636 -9.165 1.00 0.00 H new ATOM 0 HG23 ILE B 32 83.347 12.229 -10.608 1.00 0.00 H new ATOM 0 HD11 ILE B 32 79.772 13.762 -9.370 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.635 13.155 -7.936 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.546 13.882 -9.281 1.00 0.00 H new ATOM 610 N ILE B 33 84.321 9.766 -11.031 1.00 0.00 N ATOM 611 CA ILE B 33 85.189 9.818 -12.204 1.00 0.00 C ATOM 612 C ILE B 33 85.052 8.555 -13.061 1.00 0.00 C ATOM 613 O ILE B 33 84.988 8.640 -14.287 1.00 0.00 O ATOM 614 CB ILE B 33 86.657 9.998 -11.760 1.00 0.00 C ATOM 615 CG1 ILE B 33 86.898 11.460 -11.364 1.00 0.00 C ATOM 616 CG2 ILE B 33 87.619 9.627 -12.901 1.00 0.00 C ATOM 617 CD1 ILE B 33 88.220 11.576 -10.601 1.00 0.00 C ATOM 0 H ILE B 33 84.812 9.658 -10.144 1.00 0.00 H new ATOM 0 HA ILE B 33 84.884 10.669 -12.813 1.00 0.00 H new ATOM 0 HB ILE B 33 86.842 9.342 -10.910 1.00 0.00 H new ATOM 0 HG12 ILE B 33 86.924 12.088 -12.254 1.00 0.00 H new ATOM 0 HG13 ILE B 33 86.076 11.819 -10.744 1.00 0.00 H new ATOM 0 HG21 ILE B 33 88.648 9.761 -12.567 1.00 0.00 H new ATOM 0 HG22 ILE B 33 87.462 8.586 -13.185 1.00 0.00 H new ATOM 0 HG23 ILE B 33 87.430 10.270 -13.760 1.00 0.00 H new ATOM 0 HD11 ILE B 33 88.388 12.616 -10.321 1.00 0.00 H new ATOM 0 HD12 ILE B 33 88.177 10.961 -9.702 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.038 11.234 -11.236 1.00 0.00 H new ATOM 629 N GLY B 34 85.084 7.409 -12.440 1.00 0.00 N ATOM 630 CA GLY B 34 85.049 6.151 -13.180 1.00 0.00 C ATOM 631 C GLY B 34 83.976 6.103 -14.263 1.00 0.00 C ATOM 632 O GLY B 34 84.260 5.672 -15.380 1.00 0.00 O ATOM 0 H GLY B 34 85.134 7.306 -11.426 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.023 5.983 -13.639 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.882 5.333 -12.480 1.00 0.00 H new ATOM 636 N ILE B 35 82.776 6.520 -13.970 1.00 0.00 N ATOM 637 CA ILE B 35 81.734 6.479 -14.995 1.00 0.00 C ATOM 638 C ILE B 35 82.251 7.128 -16.283 1.00 0.00 C ATOM 639 O ILE B 35 81.853 6.753 -17.386 1.00 0.00 O ATOM 640 CB ILE B 35 80.461 7.188 -14.505 1.00 0.00 C ATOM 641 CG1 ILE B 35 80.847 8.417 -13.677 1.00 0.00 C ATOM 642 CG2 ILE B 35 79.634 6.231 -13.636 1.00 0.00 C ATOM 643 CD1 ILE B 35 79.633 9.337 -13.528 1.00 0.00 C ATOM 0 H ILE B 35 82.486 6.884 -13.063 1.00 0.00 H new ATOM 0 HA ILE B 35 81.481 5.439 -15.199 1.00 0.00 H new ATOM 0 HB ILE B 35 79.869 7.497 -15.367 1.00 0.00 H new ATOM 0 HG12 ILE B 35 81.205 8.109 -12.695 1.00 0.00 H new ATOM 0 HG13 ILE B 35 81.664 8.952 -14.161 1.00 0.00 H new ATOM 0 HG21 ILE B 35 78.733 6.739 -13.292 1.00 0.00 H new ATOM 0 HG22 ILE B 35 79.355 5.356 -14.223 1.00 0.00 H new ATOM 0 HG23 ILE B 35 80.225 5.918 -12.776 1.00 0.00 H new ATOM 0 HD11 ILE B 35 79.909 10.211 -12.938 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.295 9.656 -14.514 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.829 8.800 -13.025 1.00 0.00 H new ATOM 655 N LEU B 36 83.140 8.073 -16.129 1.00 0.00 N ATOM 656 CA LEU B 36 83.734 8.761 -17.274 1.00 0.00 C ATOM 657 C LEU B 36 84.675 7.825 -18.036 1.00 0.00 C ATOM 658 O LEU B 36 84.749 7.860 -19.263 1.00 0.00 O ATOM 659 CB LEU B 36 84.524 9.985 -16.783 1.00 0.00 C ATOM 660 CG LEU B 36 84.823 10.940 -17.959 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.640 11.891 -18.184 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.075 11.773 -17.645 1.00 0.00 C ATOM 0 H LEU B 36 83.478 8.394 -15.222 1.00 0.00 H new ATOM 0 HA LEU B 36 82.934 9.078 -17.943 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.954 10.510 -16.016 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.457 9.662 -16.322 1.00 0.00 H new ATOM 0 HG LEU B 36 84.987 10.344 -18.857 1.00 0.00 H new ATOM 0 HD11 LEU B 36 83.863 12.559 -19.016 1.00 0.00 H new ATOM 0 HD12 LEU B 36 82.746 11.311 -18.414 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.469 12.479 -17.282 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.283 12.446 -18.477 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.906 12.357 -16.740 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.926 11.108 -17.495 1.00 0.00 H new ATOM 674 N HIS B 37 85.391 7.022 -17.298 1.00 0.00 N ATOM 675 CA HIS B 37 86.347 6.090 -17.896 1.00 0.00 C ATOM 676 C HIS B 37 85.629 4.968 -18.655 1.00 0.00 C ATOM 677 O HIS B 37 86.036 4.594 -19.753 1.00 0.00 O ATOM 678 CB HIS B 37 87.300 5.533 -16.793 1.00 0.00 C ATOM 679 CG HIS B 37 87.001 4.087 -16.434 1.00 0.00 C ATOM 680 ND1 HIS B 37 86.902 3.083 -17.387 1.00 0.00 N ATOM 681 CD2 HIS B 37 86.798 3.468 -15.224 1.00 0.00 C ATOM 682 CE1 HIS B 37 86.649 1.930 -16.741 1.00 0.00 C ATOM 683 NE2 HIS B 37 86.574 2.109 -15.422 1.00 0.00 N ATOM 0 H HIS B 37 85.341 6.983 -16.280 1.00 0.00 H new ATOM 0 HA HIS B 37 86.951 6.624 -18.630 1.00 0.00 H new ATOM 0 HB2 HIS B 37 88.331 5.612 -17.136 1.00 0.00 H new ATOM 0 HB3 HIS B 37 87.214 6.150 -15.899 1.00 0.00 H new ATOM 0 HD2 HIS B 37 86.810 3.962 -14.264 1.00 0.00 H new ATOM 0 HE1 HIS B 37 86.522 0.976 -17.231 1.00 0.00 H new ATOM 0 HE2 HIS B 37 86.392 1.401 -14.710 1.00 0.00 H new ATOM 692 N PHE B 38 84.604 4.428 -18.058 1.00 0.00 N ATOM 693 CA PHE B 38 83.862 3.323 -18.662 1.00 0.00 C ATOM 694 C PHE B 38 83.377 3.647 -20.078 1.00 0.00 C ATOM 695 O PHE B 38 83.443 2.797 -20.965 1.00 0.00 O ATOM 696 CB PHE B 38 82.663 2.962 -17.781 1.00 0.00 C ATOM 697 CG PHE B 38 82.056 1.663 -18.263 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.220 1.657 -19.387 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.328 0.463 -17.588 1.00 0.00 C ATOM 700 CE1 PHE B 38 80.658 0.456 -19.837 1.00 0.00 C ATOM 701 CE2 PHE B 38 81.764 -0.736 -18.039 1.00 0.00 C ATOM 702 CZ PHE B 38 80.930 -0.740 -19.163 1.00 0.00 C ATOM 0 H PHE B 38 84.251 4.727 -17.149 1.00 0.00 H new ATOM 0 HA PHE B 38 84.546 2.478 -18.736 1.00 0.00 H new ATOM 0 HB2 PHE B 38 82.978 2.865 -16.742 1.00 0.00 H new ATOM 0 HB3 PHE B 38 81.920 3.758 -17.816 1.00 0.00 H new ATOM 0 HD1 PHE B 38 81.009 2.580 -19.907 1.00 0.00 H new ATOM 0 HD2 PHE B 38 82.972 0.465 -16.721 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.015 0.453 -20.704 1.00 0.00 H new ATOM 0 HE2 PHE B 38 81.973 -1.659 -17.519 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.496 -1.666 -19.510 1.00 0.00 H new ATOM 712 N ILE B 39 82.875 4.834 -20.283 1.00 0.00 N ATOM 713 CA ILE B 39 82.360 5.206 -21.602 1.00 0.00 C ATOM 714 C ILE B 39 83.475 5.360 -22.637 1.00 0.00 C ATOM 715 O ILE B 39 83.340 4.893 -23.764 1.00 0.00 O ATOM 716 CB ILE B 39 81.540 6.499 -21.516 1.00 0.00 C ATOM 717 CG1 ILE B 39 82.341 7.583 -20.791 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.245 6.231 -20.747 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.541 8.887 -20.784 1.00 0.00 C ATOM 0 H ILE B 39 82.805 5.563 -19.573 1.00 0.00 H new ATOM 0 HA ILE B 39 81.715 4.392 -21.933 1.00 0.00 H new ATOM 0 HB ILE B 39 81.308 6.839 -22.525 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.556 7.270 -19.769 1.00 0.00 H new ATOM 0 HG13 ILE B 39 83.300 7.735 -21.286 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.662 7.150 -20.685 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.665 5.467 -21.265 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.484 5.885 -19.741 1.00 0.00 H new ATOM 0 HD11 ILE B 39 82.110 9.660 -20.268 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.349 9.202 -21.810 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.593 8.730 -20.269 1.00 0.00 H new ATOM 731 N ALA B 40 84.549 5.997 -22.274 1.00 0.00 N ATOM 732 CA ALA B 40 85.653 6.177 -23.209 1.00 0.00 C ATOM 733 C ALA B 40 86.358 4.845 -23.455 1.00 0.00 C ATOM 734 O ALA B 40 86.940 4.622 -24.514 1.00 0.00 O ATOM 735 CB ALA B 40 86.648 7.199 -22.656 1.00 0.00 C ATOM 0 H ALA B 40 84.697 6.402 -21.350 1.00 0.00 H new ATOM 0 HA ALA B 40 85.254 6.545 -24.154 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.469 7.326 -23.362 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.144 8.154 -22.509 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.041 6.845 -21.703 1.00 0.00 H new ATOM 741 N TRP B 41 86.316 3.996 -22.467 1.00 0.00 N ATOM 742 CA TRP B 41 86.965 2.691 -22.530 1.00 0.00 C ATOM 743 C TRP B 41 86.620 1.928 -23.810 1.00 0.00 C ATOM 744 O TRP B 41 87.511 1.410 -24.484 1.00 0.00 O ATOM 745 CB TRP B 41 86.512 1.874 -21.318 1.00 0.00 C ATOM 746 CG TRP B 41 87.283 0.600 -21.217 1.00 0.00 C ATOM 747 CD1 TRP B 41 87.203 -0.437 -22.082 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.227 0.200 -20.184 1.00 0.00 C ATOM 749 NE1 TRP B 41 88.046 -1.443 -21.650 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.698 -1.096 -20.483 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.720 0.832 -19.027 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.619 -1.742 -19.665 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.646 0.179 -18.199 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.095 -1.111 -18.522 1.00 0.00 C ATOM 0 H TRP B 41 85.833 4.178 -21.587 1.00 0.00 H new ATOM 0 HA TRP B 41 88.044 2.845 -22.528 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.648 2.459 -20.408 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.448 1.654 -21.400 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.582 -0.473 -22.965 1.00 0.00 H new ATOM 0 HE1 TRP B 41 88.171 -2.332 -22.133 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.383 1.827 -18.775 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.964 -2.734 -19.918 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.014 0.671 -17.311 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.808 -1.612 -17.884 1.00 0.00 H new ATOM 765 N THR B 42 85.357 1.826 -24.119 1.00 0.00 N ATOM 766 CA THR B 42 84.934 1.076 -25.305 1.00 0.00 C ATOM 767 C THR B 42 85.623 1.574 -26.578 1.00 0.00 C ATOM 768 O THR B 42 85.815 0.804 -27.521 1.00 0.00 O ATOM 769 CB THR B 42 83.414 1.168 -25.476 1.00 0.00 C ATOM 770 OG1 THR B 42 83.079 0.949 -26.838 1.00 0.00 O ATOM 771 CG2 THR B 42 82.932 2.552 -25.049 1.00 0.00 C ATOM 0 H THR B 42 84.597 2.243 -23.582 1.00 0.00 H new ATOM 0 HA THR B 42 85.227 0.038 -25.150 1.00 0.00 H new ATOM 0 HB THR B 42 82.933 0.412 -24.855 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.107 1.006 -26.949 1.00 0.00 H new ATOM 0 HG21 THR B 42 81.851 2.615 -25.172 1.00 0.00 H new ATOM 0 HG22 THR B 42 83.189 2.720 -24.003 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.412 3.311 -25.667 1.00 0.00 H new ATOM 779 N ILE B 43 85.955 2.836 -26.625 1.00 0.00 N ATOM 780 CA ILE B 43 86.580 3.406 -27.819 1.00 0.00 C ATOM 781 C ILE B 43 87.752 2.544 -28.309 1.00 0.00 C ATOM 782 O ILE B 43 87.901 2.323 -29.509 1.00 0.00 O ATOM 783 CB ILE B 43 87.042 4.853 -27.521 1.00 0.00 C ATOM 784 CG1 ILE B 43 87.064 5.685 -28.816 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.444 4.863 -26.896 1.00 0.00 C ATOM 786 CD1 ILE B 43 87.419 7.146 -28.496 1.00 0.00 C ATOM 0 H ILE B 43 85.810 3.497 -25.862 1.00 0.00 H new ATOM 0 HA ILE B 43 85.842 3.425 -28.621 1.00 0.00 H new ATOM 0 HB ILE B 43 86.334 5.289 -26.816 1.00 0.00 H new ATOM 0 HG12 ILE B 43 87.792 5.269 -29.513 1.00 0.00 H new ATOM 0 HG13 ILE B 43 86.091 5.637 -29.305 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.746 5.891 -26.696 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.430 4.301 -25.962 1.00 0.00 H new ATOM 0 HG23 ILE B 43 89.153 4.404 -27.585 1.00 0.00 H new ATOM 0 HD11 ILE B 43 87.432 7.727 -29.418 1.00 0.00 H new ATOM 0 HD12 ILE B 43 86.675 7.561 -27.816 1.00 0.00 H new ATOM 0 HD13 ILE B 43 88.402 7.187 -28.027 1.00 0.00 H new ATOM 798 N GLY B 44 88.561 2.060 -27.408 1.00 0.00 N ATOM 799 CA GLY B 44 89.695 1.226 -27.807 1.00 0.00 C ATOM 800 C GLY B 44 89.219 0.085 -28.703 1.00 0.00 C ATOM 801 O GLY B 44 89.819 -0.205 -29.735 1.00 0.00 O ATOM 0 H GLY B 44 88.472 2.217 -26.404 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.432 1.830 -28.336 1.00 0.00 H new ATOM 0 HA3 GLY B 44 90.188 0.823 -26.923 1.00 0.00 H new ATOM 805 N HIS B 45 88.207 -0.593 -28.251 1.00 0.00 N ATOM 806 CA HIS B 45 87.686 -1.771 -28.927 1.00 0.00 C ATOM 807 C HIS B 45 87.646 -1.623 -30.448 1.00 0.00 C ATOM 808 O HIS B 45 87.745 -2.623 -31.158 1.00 0.00 O ATOM 809 CB HIS B 45 86.287 -2.046 -28.386 1.00 0.00 C ATOM 810 CG HIS B 45 85.796 -3.383 -28.864 1.00 0.00 C ATOM 811 ND1 HIS B 45 84.701 -3.511 -29.704 1.00 0.00 N ATOM 812 CD2 HIS B 45 86.224 -4.662 -28.607 1.00 0.00 C ATOM 813 CE1 HIS B 45 84.506 -4.825 -29.917 1.00 0.00 C ATOM 814 NE2 HIS B 45 85.407 -5.571 -29.272 1.00 0.00 N ATOM 0 H HIS B 45 87.706 -0.352 -27.396 1.00 0.00 H new ATOM 0 HA HIS B 45 88.358 -2.605 -28.725 1.00 0.00 H new ATOM 0 HB2 HIS B 45 86.300 -2.024 -27.296 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.603 -1.262 -28.712 1.00 0.00 H new ATOM 0 HD2 HIS B 45 87.066 -4.923 -27.984 1.00 0.00 H new ATOM 0 HE1 HIS B 45 83.717 -5.228 -30.535 1.00 0.00 H new ATOM 0 HE2 HIS B 45 85.480 -6.588 -29.268 1.00 0.00 H new ATOM 823 N LEU B 46 87.567 -0.429 -30.955 1.00 0.00 N ATOM 824 CA LEU B 46 87.595 -0.278 -32.409 1.00 0.00 C ATOM 825 C LEU B 46 88.948 -0.811 -32.918 1.00 0.00 C ATOM 826 O LEU B 46 89.035 -1.499 -33.934 1.00 0.00 O ATOM 827 CB LEU B 46 87.360 1.200 -32.825 1.00 0.00 C ATOM 828 CG LEU B 46 88.598 2.093 -32.529 1.00 0.00 C ATOM 829 CD1 LEU B 46 89.566 2.114 -33.741 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.153 3.537 -32.223 1.00 0.00 C ATOM 0 H LEU B 46 87.485 0.436 -30.421 1.00 0.00 H new ATOM 0 HA LEU B 46 86.786 -0.852 -32.862 1.00 0.00 H new ATOM 0 HB2 LEU B 46 87.127 1.244 -33.889 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.494 1.593 -32.293 1.00 0.00 H new ATOM 0 HG LEU B 46 89.113 1.673 -31.665 1.00 0.00 H new ATOM 0 HD11 LEU B 46 90.424 2.745 -33.510 1.00 0.00 H new ATOM 0 HD12 LEU B 46 89.907 1.100 -33.952 1.00 0.00 H new ATOM 0 HD13 LEU B 46 89.048 2.511 -34.614 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.029 4.152 -32.017 1.00 0.00 H new ATOM 0 HD22 LEU B 46 87.618 3.943 -33.082 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.496 3.539 -31.353 1.00 0.00 H new ATOM 842 N ASN B 47 89.978 -0.413 -32.227 1.00 0.00 N ATOM 843 CA ASN B 47 91.358 -0.763 -32.585 1.00 0.00 C ATOM 844 C ASN B 47 91.574 -2.274 -32.761 1.00 0.00 C ATOM 845 O ASN B 47 92.164 -2.704 -33.752 1.00 0.00 O ATOM 846 CB ASN B 47 92.321 -0.230 -31.520 1.00 0.00 C ATOM 847 CG ASN B 47 92.397 1.290 -31.599 1.00 0.00 C ATOM 848 OD1 ASN B 47 93.071 1.835 -32.473 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.742 2.015 -30.732 1.00 0.00 N ATOM 0 H ASN B 47 89.903 0.167 -31.392 1.00 0.00 H new ATOM 0 HA ASN B 47 91.558 -0.298 -33.550 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.985 -0.534 -30.529 1.00 0.00 H new ATOM 0 HB3 ASN B 47 93.312 -0.660 -31.666 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.789 3.033 -30.779 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.184 1.563 -30.008 1.00 0.00 H new ATOM 856 N GLN B 48 91.137 -3.062 -31.812 1.00 0.00 N ATOM 857 CA GLN B 48 91.329 -4.510 -31.878 1.00 0.00 C ATOM 858 C GLN B 48 90.334 -5.202 -32.815 1.00 0.00 C ATOM 859 O GLN B 48 90.751 -5.849 -33.772 1.00 0.00 O ATOM 860 CB GLN B 48 91.231 -5.109 -30.464 1.00 0.00 C ATOM 861 CG GLN B 48 90.286 -4.265 -29.596 1.00 0.00 C ATOM 862 CD GLN B 48 91.029 -3.056 -29.028 1.00 0.00 C ATOM 863 OE1 GLN B 48 92.167 -2.694 -29.555 1.00 0.00 O flip ATOM 864 NE2 GLN B 48 90.565 -2.431 -28.074 1.00 0.00 N flip ATOM 0 H GLN B 48 90.645 -2.737 -30.980 1.00 0.00 H new ATOM 0 HA GLN B 48 92.322 -4.686 -32.292 1.00 0.00 H new ATOM 0 HB2 GLN B 48 90.867 -6.135 -30.520 1.00 0.00 H new ATOM 0 HB3 GLN B 48 92.220 -5.146 -30.007 1.00 0.00 H new ATOM 0 HG2 GLN B 48 89.435 -3.932 -30.190 1.00 0.00 H new ATOM 0 HG3 GLN B 48 89.889 -4.872 -28.782 1.00 0.00 H new ATOM 0 HE21 GLN B 48 89.676 -2.714 -27.663 1.00 0.00 H new ATOM 0 HE22 GLN B 48 91.070 -1.630 -27.695 1.00 0.00 H new ATOM 873 N ILE B 49 89.054 -5.105 -32.526 1.00 0.00 N ATOM 874 CA ILE B 49 88.036 -5.775 -33.353 1.00 0.00 C ATOM 875 C ILE B 49 88.441 -5.777 -34.832 1.00 0.00 C ATOM 876 O ILE B 49 88.654 -6.839 -35.415 1.00 0.00 O ATOM 877 CB ILE B 49 86.655 -5.125 -33.152 1.00 0.00 C ATOM 878 CG1 ILE B 49 85.591 -5.929 -33.912 1.00 0.00 C ATOM 879 CG2 ILE B 49 86.659 -3.675 -33.648 1.00 0.00 C ATOM 880 CD1 ILE B 49 84.236 -5.224 -33.804 1.00 0.00 C ATOM 0 H ILE B 49 88.682 -4.578 -31.736 1.00 0.00 H new ATOM 0 HA ILE B 49 87.967 -6.814 -33.030 1.00 0.00 H new ATOM 0 HB ILE B 49 86.423 -5.125 -32.087 1.00 0.00 H new ATOM 0 HG12 ILE B 49 85.877 -6.030 -34.959 1.00 0.00 H new ATOM 0 HG13 ILE B 49 85.521 -6.937 -33.502 1.00 0.00 H new ATOM 0 HG21 ILE B 49 85.673 -3.236 -33.496 1.00 0.00 H new ATOM 0 HG22 ILE B 49 87.401 -3.102 -33.092 1.00 0.00 H new ATOM 0 HG23 ILE B 49 86.906 -3.654 -34.710 1.00 0.00 H new ATOM 0 HD11 ILE B 49 83.483 -5.798 -34.345 1.00 0.00 H new ATOM 0 HD12 ILE B 49 83.949 -5.146 -32.755 1.00 0.00 H new ATOM 0 HD13 ILE B 49 84.310 -4.226 -34.235 1.00 0.00 H new ATOM 892 N LYS B 50 88.555 -4.619 -35.425 1.00 0.00 N ATOM 893 CA LYS B 50 88.950 -4.532 -36.828 1.00 0.00 C ATOM 894 C LYS B 50 90.124 -5.471 -37.118 1.00 0.00 C ATOM 895 O LYS B 50 90.161 -6.130 -38.156 1.00 0.00 O ATOM 896 CB LYS B 50 89.350 -3.089 -37.169 1.00 0.00 C ATOM 897 CG LYS B 50 88.097 -2.196 -37.280 1.00 0.00 C ATOM 898 CD LYS B 50 87.542 -2.240 -38.712 1.00 0.00 C ATOM 899 CE LYS B 50 86.097 -1.737 -38.723 1.00 0.00 C ATOM 900 NZ LYS B 50 86.026 -0.406 -38.057 1.00 0.00 N ATOM 0 H LYS B 50 88.384 -3.721 -34.972 1.00 0.00 H new ATOM 0 HA LYS B 50 88.102 -4.831 -37.444 1.00 0.00 H new ATOM 0 HB2 LYS B 50 90.016 -2.698 -36.400 1.00 0.00 H new ATOM 0 HB3 LYS B 50 89.902 -3.070 -38.109 1.00 0.00 H new ATOM 0 HG2 LYS B 50 87.336 -2.534 -36.576 1.00 0.00 H new ATOM 0 HG3 LYS B 50 88.347 -1.170 -37.010 1.00 0.00 H new ATOM 0 HD2 LYS B 50 88.156 -1.624 -39.369 1.00 0.00 H new ATOM 0 HD3 LYS B 50 87.585 -3.259 -39.098 1.00 0.00 H new ATOM 0 HE2 LYS B 50 85.735 -1.662 -39.748 1.00 0.00 H new ATOM 0 HE3 LYS B 50 85.450 -2.447 -38.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 85.118 0.047 -38.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 86.105 -0.528 -37.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 86.805 0.194 -38.395 1.00 0.00 H new ATOM 914 N ARG B 51 91.066 -5.523 -36.210 1.00 0.00 N ATOM 915 CA ARG B 51 92.234 -6.385 -36.384 1.00 0.00 C ATOM 916 C ARG B 51 91.875 -7.843 -36.106 1.00 0.00 C ATOM 917 O ARG B 51 92.113 -8.719 -36.937 1.00 0.00 O ATOM 918 CB ARG B 51 93.359 -5.948 -35.441 1.00 0.00 C ATOM 919 CG ARG B 51 93.851 -4.555 -35.836 1.00 0.00 C ATOM 920 CD ARG B 51 94.938 -4.102 -34.860 1.00 0.00 C ATOM 921 NE ARG B 51 95.416 -2.771 -35.217 1.00 0.00 N ATOM 922 CZ ARG B 51 96.210 -2.590 -36.237 1.00 0.00 C ATOM 923 NH1 ARG B 51 96.587 -3.610 -36.959 1.00 0.00 N ATOM 924 NH2 ARG B 51 96.625 -1.390 -36.537 1.00 0.00 N ATOM 0 H ARG B 51 91.058 -4.986 -35.343 1.00 0.00 H new ATOM 0 HA ARG B 51 92.571 -6.295 -37.417 1.00 0.00 H new ATOM 0 HB2 ARG B 51 93.001 -5.939 -34.412 1.00 0.00 H new ATOM 0 HB3 ARG B 51 94.182 -6.661 -35.486 1.00 0.00 H new ATOM 0 HG2 ARG B 51 94.244 -4.571 -36.853 1.00 0.00 H new ATOM 0 HG3 ARG B 51 93.021 -3.848 -35.826 1.00 0.00 H new ATOM 0 HD2 ARG B 51 94.543 -4.094 -33.844 1.00 0.00 H new ATOM 0 HD3 ARG B 51 95.767 -4.810 -34.874 1.00 0.00 H new ATOM 0 HE ARG B 51 95.125 -1.968 -34.660 1.00 0.00 H new ATOM 0 HH11 ARG B 51 96.261 -4.548 -36.726 1.00 0.00 H new ATOM 0 HH12 ARG B 51 97.207 -3.469 -37.756 1.00 0.00 H new ATOM 0 HH21 ARG B 51 96.329 -0.592 -35.974 1.00 0.00 H new ATOM 0 HH22 ARG B 51 97.245 -1.249 -37.334 1.00 0.00 H new ATOM 938 N GLY B 52 91.316 -8.091 -34.953 1.00 0.00 N ATOM 939 CA GLY B 52 90.931 -9.446 -34.576 1.00 0.00 C ATOM 940 C GLY B 52 90.644 -9.536 -33.082 1.00 0.00 C ATOM 0 H GLY B 52 91.112 -7.380 -34.250 1.00 0.00 H new ATOM 0 HA2 GLY B 52 90.047 -9.747 -35.139 1.00 0.00 H new ATOM 0 HA3 GLY B 52 91.728 -10.141 -34.839 1.00 0.00 H new ATOM 945 N SER C 23 95.114 9.657 10.305 1.00 0.00 N ATOM 946 CA SER C 23 94.254 10.618 9.560 1.00 0.00 C ATOM 947 C SER C 23 93.751 9.961 8.278 1.00 0.00 C ATOM 948 O SER C 23 93.573 10.627 7.257 1.00 0.00 O ATOM 949 CB SER C 23 95.067 11.868 9.221 1.00 0.00 C ATOM 950 OG SER C 23 94.210 12.843 8.638 1.00 0.00 O ATOM 0 HA SER C 23 93.400 10.901 10.175 1.00 0.00 H new ATOM 0 HB2 SER C 23 95.532 12.268 10.122 1.00 0.00 H new ATOM 0 HB3 SER C 23 95.872 11.616 8.531 1.00 0.00 H new ATOM 0 HG SER C 23 93.704 12.437 7.904 1.00 0.00 H new ATOM 955 N ASP C 24 93.523 8.673 8.340 1.00 0.00 N ATOM 956 CA ASP C 24 93.032 7.928 7.190 1.00 0.00 C ATOM 957 C ASP C 24 93.739 8.368 5.915 1.00 0.00 C ATOM 958 O ASP C 24 93.095 8.736 4.934 1.00 0.00 O ATOM 959 CB ASP C 24 91.523 8.132 7.039 1.00 0.00 C ATOM 960 CG ASP C 24 91.217 9.601 6.767 1.00 0.00 C ATOM 961 OD1 ASP C 24 91.057 10.340 7.725 1.00 0.00 O ATOM 962 OD2 ASP C 24 91.147 9.966 5.605 1.00 0.00 O ATOM 0 H ASP C 24 93.668 8.109 9.177 1.00 0.00 H new ATOM 0 HA ASP C 24 93.241 6.871 7.355 1.00 0.00 H new ATOM 0 HB2 ASP C 24 91.145 7.517 6.223 1.00 0.00 H new ATOM 0 HB3 ASP C 24 91.012 7.808 7.946 1.00 0.00 H new ATOM 967 N PRO C 25 95.046 8.328 5.909 1.00 0.00 N ATOM 968 CA PRO C 25 95.841 8.726 4.718 1.00 0.00 C ATOM 969 C PRO C 25 95.588 7.761 3.565 1.00 0.00 C ATOM 970 O PRO C 25 95.835 8.077 2.402 1.00 0.00 O ATOM 971 CB PRO C 25 97.300 8.668 5.207 1.00 0.00 C ATOM 972 CG PRO C 25 97.284 7.746 6.389 1.00 0.00 C ATOM 973 CD PRO C 25 95.903 7.897 7.029 1.00 0.00 C ATOM 0 HA PRO C 25 95.581 9.713 4.336 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.962 8.295 4.426 1.00 0.00 H new ATOM 0 HB3 PRO C 25 97.661 9.658 5.485 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.460 6.715 6.081 1.00 0.00 H new ATOM 0 HG3 PRO C 25 98.071 8.006 7.096 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.556 6.958 7.460 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.912 8.633 7.833 1.00 0.00 H new ATOM 981 N LEU C 26 95.122 6.592 3.901 1.00 0.00 N ATOM 982 CA LEU C 26 94.857 5.569 2.891 1.00 0.00 C ATOM 983 C LEU C 26 93.809 6.043 1.877 1.00 0.00 C ATOM 984 O LEU C 26 93.952 5.817 0.676 1.00 0.00 O ATOM 985 CB LEU C 26 94.357 4.283 3.572 1.00 0.00 C ATOM 986 CG LEU C 26 95.533 3.491 4.149 1.00 0.00 C ATOM 987 CD1 LEU C 26 96.340 4.382 5.094 1.00 0.00 C ATOM 988 CD2 LEU C 26 94.991 2.283 4.921 1.00 0.00 C ATOM 0 H LEU C 26 94.914 6.310 4.859 1.00 0.00 H new ATOM 0 HA LEU C 26 95.788 5.374 2.359 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.655 4.535 4.367 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.816 3.669 2.852 1.00 0.00 H new ATOM 0 HG LEU C 26 96.179 3.152 3.339 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.176 3.815 5.503 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.720 5.244 4.546 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.700 4.723 5.908 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.823 1.713 5.335 1.00 0.00 H new ATOM 0 HD22 LEU C 26 94.348 2.627 5.731 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.417 1.648 4.246 1.00 0.00 H new ATOM 1000 N VAL C 27 92.766 6.659 2.362 1.00 0.00 N ATOM 1001 CA VAL C 27 91.685 7.128 1.495 1.00 0.00 C ATOM 1002 C VAL C 27 92.133 8.242 0.548 1.00 0.00 C ATOM 1003 O VAL C 27 91.816 8.217 -0.642 1.00 0.00 O ATOM 1004 CB VAL C 27 90.534 7.661 2.353 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.404 8.164 1.448 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.002 6.545 3.253 1.00 0.00 C ATOM 0 H VAL C 27 92.628 6.855 3.353 1.00 0.00 H new ATOM 0 HA VAL C 27 91.369 6.276 0.893 1.00 0.00 H new ATOM 0 HB VAL C 27 90.900 8.483 2.969 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.587 8.542 2.062 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.778 8.964 0.809 1.00 0.00 H new ATOM 0 HG13 VAL C 27 89.042 7.344 0.828 1.00 0.00 H new ATOM 0 HG21 VAL C 27 89.183 6.928 3.862 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.642 5.721 2.637 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.802 6.189 3.903 1.00 0.00 H new ATOM 1016 N VAL C 28 92.836 9.208 1.072 1.00 0.00 N ATOM 1017 CA VAL C 28 93.290 10.333 0.257 1.00 0.00 C ATOM 1018 C VAL C 28 94.426 9.959 -0.691 1.00 0.00 C ATOM 1019 O VAL C 28 94.465 10.439 -1.821 1.00 0.00 O ATOM 1020 CB VAL C 28 93.706 11.516 1.151 1.00 0.00 C ATOM 1021 CG1 VAL C 28 95.090 11.267 1.755 1.00 0.00 C ATOM 1022 CG2 VAL C 28 93.746 12.805 0.317 1.00 0.00 C ATOM 0 H VAL C 28 93.113 9.252 2.053 1.00 0.00 H new ATOM 0 HA VAL C 28 92.445 10.629 -0.364 1.00 0.00 H new ATOM 0 HB VAL C 28 92.977 11.617 1.955 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.370 12.112 2.384 1.00 0.00 H new ATOM 0 HG12 VAL C 28 95.066 10.359 2.357 1.00 0.00 H new ATOM 0 HG13 VAL C 28 95.821 11.153 0.955 1.00 0.00 H new ATOM 0 HG21 VAL C 28 94.041 13.640 0.952 1.00 0.00 H new ATOM 0 HG22 VAL C 28 94.467 12.692 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.758 12.998 -0.102 1.00 0.00 H new ATOM 1032 N ALA C 29 95.345 9.151 -0.235 1.00 0.00 N ATOM 1033 CA ALA C 29 96.496 8.756 -1.046 1.00 0.00 C ATOM 1034 C ALA C 29 96.136 7.815 -2.197 1.00 0.00 C ATOM 1035 O ALA C 29 96.837 7.792 -3.208 1.00 0.00 O ATOM 1036 CB ALA C 29 97.527 8.063 -0.154 1.00 0.00 C ATOM 0 H ALA C 29 95.330 8.743 0.700 1.00 0.00 H new ATOM 0 HA ALA C 29 96.895 9.670 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.387 7.767 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.850 8.749 0.629 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.080 7.179 0.300 1.00 0.00 H new ATOM 1042 N ALA C 30 95.096 7.029 -2.057 1.00 0.00 N ATOM 1043 CA ALA C 30 94.741 6.096 -3.113 1.00 0.00 C ATOM 1044 C ALA C 30 94.124 6.795 -4.331 1.00 0.00 C ATOM 1045 O ALA C 30 94.404 6.414 -5.468 1.00 0.00 O ATOM 1046 CB ALA C 30 93.819 5.020 -2.554 1.00 0.00 C ATOM 0 H ALA C 30 94.486 7.011 -1.239 1.00 0.00 H new ATOM 0 HA ALA C 30 95.657 5.626 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.553 4.321 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.329 4.484 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA C 30 92.914 5.484 -2.161 1.00 0.00 H new ATOM 1052 N SER C 31 93.293 7.788 -4.112 1.00 0.00 N ATOM 1053 CA SER C 31 92.647 8.501 -5.219 1.00 0.00 C ATOM 1054 C SER C 31 93.662 9.254 -6.080 1.00 0.00 C ATOM 1055 O SER C 31 93.426 9.504 -7.262 1.00 0.00 O ATOM 1056 CB SER C 31 91.626 9.494 -4.663 1.00 0.00 C ATOM 1057 OG SER C 31 90.962 10.139 -5.742 1.00 0.00 O ATOM 0 H SER C 31 93.041 8.129 -3.184 1.00 0.00 H new ATOM 0 HA SER C 31 92.153 7.759 -5.847 1.00 0.00 H new ATOM 0 HB2 SER C 31 90.903 8.975 -4.034 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.124 10.232 -4.034 1.00 0.00 H new ATOM 0 HG SER C 31 90.306 10.775 -5.389 1.00 0.00 H new ATOM 1063 N ILE C 32 94.748 9.637 -5.477 1.00 0.00 N ATOM 1064 CA ILE C 32 95.783 10.402 -6.172 1.00 0.00 C ATOM 1065 C ILE C 32 96.092 9.777 -7.530 1.00 0.00 C ATOM 1066 O ILE C 32 96.142 10.475 -8.543 1.00 0.00 O ATOM 1067 CB ILE C 32 97.041 10.421 -5.299 1.00 0.00 C ATOM 1068 CG1 ILE C 32 96.657 10.842 -3.880 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.078 11.399 -5.842 1.00 0.00 C ATOM 1070 CD1 ILE C 32 95.887 12.170 -3.895 1.00 0.00 C ATOM 0 H ILE C 32 94.956 9.439 -4.498 1.00 0.00 H new ATOM 0 HA ILE C 32 95.433 11.420 -6.344 1.00 0.00 H new ATOM 0 HB ILE C 32 97.475 9.421 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE C 32 96.045 10.067 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.555 10.944 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.959 11.389 -5.200 1.00 0.00 H new ATOM 0 HG22 ILE C 32 98.362 11.104 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE C 32 97.655 12.403 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE C 32 95.624 12.450 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.511 12.948 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE C 32 94.978 12.057 -4.486 1.00 0.00 H new ATOM 1082 N ILE C 33 96.267 8.489 -7.559 1.00 0.00 N ATOM 1083 CA ILE C 33 96.538 7.799 -8.815 1.00 0.00 C ATOM 1084 C ILE C 33 95.348 7.973 -9.764 1.00 0.00 C ATOM 1085 O ILE C 33 95.504 8.103 -10.976 1.00 0.00 O ATOM 1086 CB ILE C 33 96.759 6.311 -8.539 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.964 6.137 -7.607 1.00 0.00 C ATOM 1088 CG2 ILE C 33 97.015 5.579 -9.855 1.00 0.00 C ATOM 1089 CD1 ILE C 33 98.033 4.689 -7.109 1.00 0.00 C ATOM 0 H ILE C 33 96.230 7.884 -6.738 1.00 0.00 H new ATOM 0 HA ILE C 33 97.431 8.221 -9.276 1.00 0.00 H new ATOM 0 HB ILE C 33 95.872 5.894 -8.063 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.883 6.394 -8.134 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.881 6.818 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.172 4.519 -9.657 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.155 5.701 -10.513 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.901 5.994 -10.336 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.891 4.572 -6.447 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.120 4.447 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.137 4.016 -7.960 1.00 0.00 H new ATOM 1101 N GLY C 34 94.182 7.916 -9.200 1.00 0.00 N ATOM 1102 CA GLY C 34 92.951 8.009 -9.982 1.00 0.00 C ATOM 1103 C GLY C 34 92.991 9.165 -10.986 1.00 0.00 C ATOM 1104 O GLY C 34 92.712 8.970 -12.166 1.00 0.00 O ATOM 0 H GLY C 34 94.038 7.805 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.789 7.072 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY C 34 92.104 8.143 -9.309 1.00 0.00 H new ATOM 1108 N ILE C 35 93.327 10.342 -10.538 1.00 0.00 N ATOM 1109 CA ILE C 35 93.385 11.489 -11.445 1.00 0.00 C ATOM 1110 C ILE C 35 94.576 11.388 -12.401 1.00 0.00 C ATOM 1111 O ILE C 35 94.531 11.903 -13.518 1.00 0.00 O ATOM 1112 CB ILE C 35 93.460 12.796 -10.654 1.00 0.00 C ATOM 1113 CG1 ILE C 35 94.600 12.723 -9.639 1.00 0.00 C ATOM 1114 CG2 ILE C 35 92.137 13.022 -9.920 1.00 0.00 C ATOM 1115 CD1 ILE C 35 94.768 14.087 -8.966 1.00 0.00 C ATOM 0 H ILE C 35 93.564 10.547 -9.567 1.00 0.00 H new ATOM 0 HA ILE C 35 92.471 11.484 -12.039 1.00 0.00 H new ATOM 0 HB ILE C 35 93.644 13.622 -11.341 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.387 11.959 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.526 12.433 -10.136 1.00 0.00 H new ATOM 0 HG21 ILE C 35 92.188 13.953 -9.356 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.325 13.081 -10.644 1.00 0.00 H new ATOM 0 HG23 ILE C 35 91.954 12.193 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.581 14.038 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE C 35 95.000 14.839 -9.720 1.00 0.00 H new ATOM 0 HD13 ILE C 35 93.843 14.358 -8.456 1.00 0.00 H new ATOM 1127 N LEU C 36 95.625 10.748 -11.957 1.00 0.00 N ATOM 1128 CA LEU C 36 96.832 10.601 -12.773 1.00 0.00 C ATOM 1129 C LEU C 36 96.541 9.856 -14.078 1.00 0.00 C ATOM 1130 O LEU C 36 97.172 10.120 -15.102 1.00 0.00 O ATOM 1131 CB LEU C 36 97.904 9.839 -11.971 1.00 0.00 C ATOM 1132 CG LEU C 36 99.208 9.698 -12.776 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.884 11.067 -12.943 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.149 8.749 -12.023 1.00 0.00 C ATOM 0 H LEU C 36 95.682 10.315 -11.035 1.00 0.00 H new ATOM 0 HA LEU C 36 97.192 11.598 -13.028 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.105 10.365 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.529 8.851 -11.706 1.00 0.00 H new ATOM 0 HG LEU C 36 98.983 9.300 -13.765 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.805 10.951 -13.514 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.212 11.743 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.116 11.480 -11.961 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.078 8.639 -12.582 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.365 9.158 -11.036 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.673 7.774 -11.915 1.00 0.00 H new ATOM 1146 N HIS C 37 95.634 8.920 -14.036 1.00 0.00 N ATOM 1147 CA HIS C 37 95.319 8.131 -15.227 1.00 0.00 C ATOM 1148 C HIS C 37 94.579 8.953 -16.290 1.00 0.00 C ATOM 1149 O HIS C 37 94.770 8.738 -17.487 1.00 0.00 O ATOM 1150 CB HIS C 37 94.504 6.880 -14.827 1.00 0.00 C ATOM 1151 CG HIS C 37 93.017 7.161 -14.822 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.338 7.581 -15.957 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.070 7.066 -13.833 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.041 7.719 -15.625 1.00 0.00 C ATOM 1155 NE2 HIS C 37 90.823 7.418 -14.343 1.00 0.00 N ATOM 0 H HIS C 37 95.096 8.675 -13.205 1.00 0.00 H new ATOM 0 HA HIS C 37 96.260 7.816 -15.677 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.719 6.068 -15.522 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.815 6.544 -13.838 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.263 6.764 -12.814 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.270 8.035 -16.312 1.00 0.00 H new ATOM 0 HE2 HIS C 37 89.934 7.441 -13.844 1.00 0.00 H new ATOM 1164 N PHE C 38 93.737 9.855 -15.864 1.00 0.00 N ATOM 1165 CA PHE C 38 92.967 10.664 -16.807 1.00 0.00 C ATOM 1166 C PHE C 38 93.875 11.458 -17.747 1.00 0.00 C ATOM 1167 O PHE C 38 93.640 11.498 -18.952 1.00 0.00 O ATOM 1168 CB PHE C 38 92.042 11.626 -16.055 1.00 0.00 C ATOM 1169 CG PHE C 38 91.301 12.485 -17.057 1.00 0.00 C ATOM 1170 CD1 PHE C 38 91.864 13.692 -17.489 1.00 0.00 C ATOM 1171 CD2 PHE C 38 90.057 12.075 -17.559 1.00 0.00 C ATOM 1172 CE1 PHE C 38 91.190 14.487 -18.423 1.00 0.00 C ATOM 1173 CE2 PHE C 38 89.382 12.872 -18.493 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.950 14.077 -18.925 1.00 0.00 C ATOM 0 H PHE C 38 93.558 10.057 -14.880 1.00 0.00 H new ATOM 0 HA PHE C 38 92.370 9.978 -17.409 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.334 11.066 -15.443 1.00 0.00 H new ATOM 0 HB3 PHE C 38 92.622 12.253 -15.378 1.00 0.00 H new ATOM 0 HD1 PHE C 38 92.820 14.010 -17.101 1.00 0.00 H new ATOM 0 HD2 PHE C 38 89.620 11.145 -17.226 1.00 0.00 H new ATOM 0 HE1 PHE C 38 91.627 15.417 -18.756 1.00 0.00 H new ATOM 0 HE2 PHE C 38 88.424 12.557 -18.880 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.430 14.690 -19.646 1.00 0.00 H new ATOM 1184 N ILE C 39 94.878 12.094 -17.212 1.00 0.00 N ATOM 1185 CA ILE C 39 95.774 12.887 -18.047 1.00 0.00 C ATOM 1186 C ILE C 39 96.516 12.000 -19.046 1.00 0.00 C ATOM 1187 O ILE C 39 96.767 12.407 -20.175 1.00 0.00 O ATOM 1188 CB ILE C 39 96.758 13.677 -17.168 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.785 14.416 -18.040 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.489 12.729 -16.216 1.00 0.00 C ATOM 1191 CD1 ILE C 39 97.066 15.325 -19.044 1.00 0.00 C ATOM 0 H ILE C 39 95.105 12.088 -16.218 1.00 0.00 H new ATOM 0 HA ILE C 39 95.178 13.598 -18.618 1.00 0.00 H new ATOM 0 HB ILE C 39 96.191 14.407 -16.590 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.448 15.009 -17.411 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.408 13.696 -18.571 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.183 13.298 -15.598 1.00 0.00 H new ATOM 0 HG22 ILE C 39 96.764 12.225 -15.577 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.041 11.988 -16.794 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.803 15.844 -19.657 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.421 14.722 -19.684 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.462 16.056 -18.506 1.00 0.00 H new ATOM 1203 N ALA C 40 96.852 10.808 -18.646 1.00 0.00 N ATOM 1204 CA ALA C 40 97.542 9.888 -19.545 1.00 0.00 C ATOM 1205 C ALA C 40 96.585 9.361 -20.615 1.00 0.00 C ATOM 1206 O ALA C 40 96.993 9.033 -21.728 1.00 0.00 O ATOM 1207 CB ALA C 40 98.126 8.717 -18.752 1.00 0.00 C ATOM 0 H ALA C 40 96.668 10.439 -17.713 1.00 0.00 H new ATOM 0 HA ALA C 40 98.351 10.429 -20.035 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.639 8.037 -19.432 1.00 0.00 H new ATOM 0 HB2 ALA C 40 98.834 9.094 -18.014 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.322 8.185 -18.244 1.00 0.00 H new ATOM 1213 N TRP C 41 95.337 9.249 -20.248 1.00 0.00 N ATOM 1214 CA TRP C 41 94.299 8.723 -21.128 1.00 0.00 C ATOM 1215 C TRP C 41 94.292 9.384 -22.506 1.00 0.00 C ATOM 1216 O TRP C 41 94.225 8.701 -23.527 1.00 0.00 O ATOM 1217 CB TRP C 41 92.944 8.947 -20.455 1.00 0.00 C ATOM 1218 CG TRP C 41 91.871 8.210 -21.184 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.446 8.488 -22.438 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.064 7.092 -20.715 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.444 7.600 -22.775 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.172 6.722 -21.745 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.024 6.365 -19.509 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.273 5.670 -21.588 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.114 5.308 -19.347 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.240 4.961 -20.387 1.00 0.00 C ATOM 0 H TRP C 41 94.997 9.519 -19.325 1.00 0.00 H new ATOM 0 HA TRP C 41 94.501 7.664 -21.288 1.00 0.00 H new ATOM 0 HB2 TRP C 41 92.986 8.610 -19.419 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.713 10.012 -20.435 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.828 9.275 -23.071 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.964 7.593 -23.675 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.697 6.622 -18.704 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.604 5.404 -22.393 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.087 4.760 -18.417 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.543 4.146 -20.259 1.00 0.00 H new ATOM 1237 N THR C 42 94.307 10.686 -22.530 1.00 0.00 N ATOM 1238 CA THR C 42 94.244 11.424 -23.793 1.00 0.00 C ATOM 1239 C THR C 42 95.232 10.893 -24.834 1.00 0.00 C ATOM 1240 O THR C 42 94.976 11.002 -26.033 1.00 0.00 O ATOM 1241 CB THR C 42 94.510 12.919 -23.552 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.113 13.490 -24.706 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.443 13.084 -22.357 1.00 0.00 C ATOM 0 H THR C 42 94.362 11.273 -21.698 1.00 0.00 H new ATOM 0 HA THR C 42 93.238 11.282 -24.189 1.00 0.00 H new ATOM 0 HB THR C 42 93.566 13.425 -23.350 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.280 14.443 -24.550 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.632 14.144 -22.186 1.00 0.00 H new ATOM 0 HG22 THR C 42 94.979 12.651 -21.471 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.386 12.576 -22.559 1.00 0.00 H new ATOM 1251 N ILE C 43 96.333 10.336 -24.409 1.00 0.00 N ATOM 1252 CA ILE C 43 97.313 9.815 -25.362 1.00 0.00 C ATOM 1253 C ILE C 43 96.718 8.688 -26.212 1.00 0.00 C ATOM 1254 O ILE C 43 97.136 8.476 -27.349 1.00 0.00 O ATOM 1255 CB ILE C 43 98.546 9.296 -24.617 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.132 10.421 -23.759 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.593 8.828 -25.633 1.00 0.00 C ATOM 1258 CD1 ILE C 43 100.260 9.866 -22.884 1.00 0.00 C ATOM 0 H ILE C 43 96.585 10.225 -23.427 1.00 0.00 H new ATOM 0 HA ILE C 43 97.601 10.631 -26.025 1.00 0.00 H new ATOM 0 HB ILE C 43 98.263 8.461 -23.976 1.00 0.00 H new ATOM 0 HG12 ILE C 43 99.512 11.218 -24.397 1.00 0.00 H new ATOM 0 HG13 ILE C 43 98.354 10.858 -23.133 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.472 8.458 -25.105 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.174 8.029 -26.245 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.879 9.663 -26.272 1.00 0.00 H new ATOM 0 HD11 ILE C 43 100.676 10.668 -22.274 1.00 0.00 H new ATOM 0 HD12 ILE C 43 99.866 9.084 -22.235 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.042 9.450 -23.519 1.00 0.00 H new ATOM 1270 N GLY C 44 95.771 7.982 -25.657 1.00 0.00 N ATOM 1271 CA GLY C 44 95.122 6.863 -26.350 1.00 0.00 C ATOM 1272 C GLY C 44 94.428 7.294 -27.649 1.00 0.00 C ATOM 1273 O GLY C 44 94.289 6.504 -28.578 1.00 0.00 O ATOM 0 H GLY C 44 95.417 8.152 -24.716 1.00 0.00 H new ATOM 0 HA2 GLY C 44 95.867 6.100 -26.577 1.00 0.00 H new ATOM 0 HA3 GLY C 44 94.389 6.405 -25.686 1.00 0.00 H new ATOM 1277 N HIS C 45 94.003 8.524 -27.699 1.00 0.00 N ATOM 1278 CA HIS C 45 93.325 9.044 -28.886 1.00 0.00 C ATOM 1279 C HIS C 45 94.142 8.736 -30.147 1.00 0.00 C ATOM 1280 O HIS C 45 93.603 8.587 -31.244 1.00 0.00 O ATOM 1281 CB HIS C 45 93.114 10.547 -28.751 1.00 0.00 C ATOM 1282 CG HIS C 45 92.158 11.005 -29.818 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.496 11.969 -30.755 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.869 10.628 -30.113 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.432 12.138 -31.564 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.414 11.346 -31.215 1.00 0.00 N ATOM 0 H HIS C 45 94.107 9.197 -26.940 1.00 0.00 H new ATOM 0 HA HIS C 45 92.354 8.557 -28.974 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.718 10.784 -27.764 1.00 0.00 H new ATOM 0 HB3 HIS C 45 94.065 11.071 -28.847 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.297 9.888 -29.572 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.405 12.829 -32.393 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.499 11.281 -31.661 1.00 0.00 H new ATOM 1295 N LEU C 46 95.421 8.627 -29.950 1.00 0.00 N ATOM 1296 CA LEU C 46 96.396 8.314 -30.996 1.00 0.00 C ATOM 1297 C LEU C 46 96.174 6.907 -31.567 1.00 0.00 C ATOM 1298 O LEU C 46 96.667 6.567 -32.643 1.00 0.00 O ATOM 1299 CB LEU C 46 97.830 8.490 -30.426 1.00 0.00 C ATOM 1300 CG LEU C 46 98.514 7.146 -30.037 1.00 0.00 C ATOM 1301 CD1 LEU C 46 97.589 6.261 -29.162 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.983 6.373 -31.302 1.00 0.00 C ATOM 0 H LEU C 46 95.847 8.755 -29.032 1.00 0.00 H new ATOM 0 HA LEU C 46 96.264 9.006 -31.828 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.446 9.001 -31.166 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.787 9.134 -29.548 1.00 0.00 H new ATOM 0 HG LEU C 46 99.392 7.391 -29.440 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.103 5.333 -28.912 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.336 6.794 -28.245 1.00 0.00 H new ATOM 0 HD13 LEU C 46 96.676 6.033 -29.713 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.457 5.438 -31.002 1.00 0.00 H new ATOM 0 HD22 LEU C 46 98.123 6.157 -31.936 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.698 6.981 -31.856 1.00 0.00 H new ATOM 1314 N ASN C 47 95.445 6.118 -30.833 1.00 0.00 N ATOM 1315 CA ASN C 47 95.164 4.743 -31.237 1.00 0.00 C ATOM 1316 C ASN C 47 94.442 4.686 -32.590 1.00 0.00 C ATOM 1317 O ASN C 47 94.865 3.952 -33.484 1.00 0.00 O ATOM 1318 CB ASN C 47 94.324 4.041 -30.160 1.00 0.00 C ATOM 1319 CG ASN C 47 95.191 3.692 -28.951 1.00 0.00 C ATOM 1320 OD1 ASN C 47 96.353 3.314 -29.103 1.00 0.00 O ATOM 1321 ND2 ASN C 47 94.686 3.792 -27.750 1.00 0.00 N ATOM 0 H ASN C 47 95.026 6.391 -29.944 1.00 0.00 H new ATOM 0 HA ASN C 47 96.117 4.226 -31.348 1.00 0.00 H new ATOM 0 HB2 ASN C 47 93.503 4.688 -29.852 1.00 0.00 H new ATOM 0 HB3 ASN C 47 93.879 3.134 -30.570 1.00 0.00 H new ATOM 0 HD21 ASN C 47 95.255 3.557 -26.936 1.00 0.00 H new ATOM 0 HD22 ASN C 47 93.723 4.105 -27.626 1.00 0.00 H new ATOM 1328 N GLN C 48 93.368 5.430 -32.742 1.00 0.00 N ATOM 1329 CA GLN C 48 92.611 5.422 -34.001 1.00 0.00 C ATOM 1330 C GLN C 48 92.945 6.622 -34.895 1.00 0.00 C ATOM 1331 O GLN C 48 92.581 6.631 -36.072 1.00 0.00 O ATOM 1332 CB GLN C 48 91.109 5.430 -33.702 1.00 0.00 C ATOM 1333 CG GLN C 48 90.775 6.533 -32.685 1.00 0.00 C ATOM 1334 CD GLN C 48 91.036 6.057 -31.256 1.00 0.00 C ATOM 1335 OE1 GLN C 48 91.498 4.856 -31.042 1.00 0.00 O flip ATOM 1336 NE2 GLN C 48 90.811 6.806 -30.305 1.00 0.00 N flip ATOM 0 H GLN C 48 92.992 6.048 -32.023 1.00 0.00 H new ATOM 0 HA GLN C 48 92.894 4.516 -34.537 1.00 0.00 H new ATOM 0 HB2 GLN C 48 90.549 5.593 -34.623 1.00 0.00 H new ATOM 0 HB3 GLN C 48 90.804 4.460 -33.310 1.00 0.00 H new ATOM 0 HG2 GLN C 48 91.376 7.418 -32.893 1.00 0.00 H new ATOM 0 HG3 GLN C 48 89.730 6.825 -32.790 1.00 0.00 H new ATOM 0 HE21 GLN C 48 90.450 7.745 -30.470 1.00 0.00 H new ATOM 0 HE22 GLN C 48 90.986 6.487 -29.352 1.00 0.00 H new ATOM 1345 N ILE C 49 93.591 7.623 -34.360 1.00 0.00 N ATOM 1346 CA ILE C 49 93.910 8.813 -35.156 1.00 0.00 C ATOM 1347 C ILE C 49 94.457 8.429 -36.535 1.00 0.00 C ATOM 1348 O ILE C 49 94.263 9.154 -37.511 1.00 0.00 O ATOM 1349 CB ILE C 49 94.919 9.711 -34.410 1.00 0.00 C ATOM 1350 CG1 ILE C 49 94.855 11.139 -34.971 1.00 0.00 C ATOM 1351 CG2 ILE C 49 96.349 9.176 -34.577 1.00 0.00 C ATOM 1352 CD1 ILE C 49 95.768 12.053 -34.150 1.00 0.00 C ATOM 0 H ILE C 49 93.910 7.655 -33.392 1.00 0.00 H new ATOM 0 HA ILE C 49 92.986 9.372 -35.303 1.00 0.00 H new ATOM 0 HB ILE C 49 94.659 9.711 -33.352 1.00 0.00 H new ATOM 0 HG12 ILE C 49 95.163 11.144 -36.017 1.00 0.00 H new ATOM 0 HG13 ILE C 49 93.830 11.508 -34.939 1.00 0.00 H new ATOM 0 HG21 ILE C 49 97.044 9.824 -34.043 1.00 0.00 H new ATOM 0 HG22 ILE C 49 96.409 8.166 -34.171 1.00 0.00 H new ATOM 0 HG23 ILE C 49 96.609 9.158 -35.635 1.00 0.00 H new ATOM 0 HD11 ILE C 49 95.722 13.066 -34.549 1.00 0.00 H new ATOM 0 HD12 ILE C 49 95.440 12.057 -33.111 1.00 0.00 H new ATOM 0 HD13 ILE C 49 96.793 11.688 -34.205 1.00 0.00 H new ATOM 1364 N LYS C 50 95.129 7.307 -36.606 1.00 0.00 N ATOM 1365 CA LYS C 50 95.706 6.833 -37.871 1.00 0.00 C ATOM 1366 C LYS C 50 94.891 5.670 -38.427 1.00 0.00 C ATOM 1367 O LYS C 50 95.172 4.506 -38.136 1.00 0.00 O ATOM 1368 CB LYS C 50 97.154 6.379 -37.641 1.00 0.00 C ATOM 1369 CG LYS C 50 97.861 6.145 -38.988 1.00 0.00 C ATOM 1370 CD LYS C 50 98.357 7.473 -39.581 1.00 0.00 C ATOM 1371 CE LYS C 50 99.335 7.182 -40.723 1.00 0.00 C ATOM 1372 NZ LYS C 50 99.585 8.433 -41.495 1.00 0.00 N ATOM 0 H LYS C 50 95.298 6.693 -35.809 1.00 0.00 H new ATOM 0 HA LYS C 50 95.688 7.652 -38.590 1.00 0.00 H new ATOM 0 HB2 LYS C 50 97.692 7.133 -37.067 1.00 0.00 H new ATOM 0 HB3 LYS C 50 97.166 5.462 -37.052 1.00 0.00 H new ATOM 0 HG2 LYS C 50 98.703 5.466 -38.849 1.00 0.00 H new ATOM 0 HG3 LYS C 50 97.175 5.664 -39.685 1.00 0.00 H new ATOM 0 HD2 LYS C 50 97.514 8.058 -39.949 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.846 8.069 -38.810 1.00 0.00 H new ATOM 0 HE2 LYS C 50 100.272 6.795 -40.323 1.00 0.00 H new ATOM 0 HE3 LYS C 50 98.927 6.413 -41.379 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 100.249 8.235 -42.271 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 98.688 8.783 -41.888 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 99.992 9.154 -40.866 1.00 0.00 H new ATOM 1386 N ARG C 51 93.900 5.984 -39.217 1.00 0.00 N ATOM 1387 CA ARG C 51 93.053 4.956 -39.811 1.00 0.00 C ATOM 1388 C ARG C 51 92.116 5.568 -40.849 1.00 0.00 C ATOM 1389 O ARG C 51 91.428 6.551 -40.573 1.00 0.00 O ATOM 1390 CB ARG C 51 92.234 4.254 -38.718 1.00 0.00 C ATOM 1391 CG ARG C 51 91.366 3.121 -39.327 1.00 0.00 C ATOM 1392 CD ARG C 51 89.914 3.590 -39.504 1.00 0.00 C ATOM 1393 NE ARG C 51 89.365 4.015 -38.223 1.00 0.00 N ATOM 1394 CZ ARG C 51 88.113 4.367 -38.108 1.00 0.00 C ATOM 1395 NH1 ARG C 51 87.330 4.339 -39.151 1.00 0.00 N ATOM 1396 NH2 ARG C 51 87.645 4.746 -36.950 1.00 0.00 N ATOM 0 H ARG C 51 93.650 6.940 -39.471 1.00 0.00 H new ATOM 0 HA ARG C 51 93.692 4.225 -40.306 1.00 0.00 H new ATOM 0 HB2 ARG C 51 92.903 3.841 -37.964 1.00 0.00 H new ATOM 0 HB3 ARG C 51 91.594 4.978 -38.214 1.00 0.00 H new ATOM 0 HG2 ARG C 51 91.776 2.819 -40.290 1.00 0.00 H new ATOM 0 HG3 ARG C 51 91.395 2.245 -38.679 1.00 0.00 H new ATOM 0 HD2 ARG C 51 89.874 4.414 -40.217 1.00 0.00 H new ATOM 0 HD3 ARG C 51 89.310 2.782 -39.917 1.00 0.00 H new ATOM 0 HE ARG C 51 89.969 4.038 -37.402 1.00 0.00 H new ATOM 0 HH11 ARG C 51 87.696 4.042 -40.056 1.00 0.00 H new ATOM 0 HH12 ARG C 51 86.352 4.614 -39.062 1.00 0.00 H new ATOM 0 HH21 ARG C 51 88.257 4.767 -36.135 1.00 0.00 H new ATOM 0 HH22 ARG C 51 86.667 5.021 -36.860 1.00 0.00 H new ATOM 1410 N GLY C 52 92.096 4.991 -42.019 1.00 0.00 N ATOM 1411 CA GLY C 52 91.239 5.486 -43.090 1.00 0.00 C ATOM 1412 C GLY C 52 91.692 6.865 -43.557 1.00 0.00 C ATOM 0 H GLY C 52 92.659 4.177 -42.267 1.00 0.00 H new ATOM 0 HA2 GLY C 52 91.259 4.789 -43.928 1.00 0.00 H new ATOM 0 HA3 GLY C 52 90.207 5.536 -42.742 1.00 0.00 H new ATOM 1417 N SER D 23 85.626 -3.690 10.920 1.00 0.00 N ATOM 1418 CA SER D 23 85.374 -3.537 9.459 1.00 0.00 C ATOM 1419 C SER D 23 86.565 -4.084 8.682 1.00 0.00 C ATOM 1420 O SER D 23 87.716 -3.896 9.078 1.00 0.00 O ATOM 1421 CB SER D 23 85.174 -2.057 9.134 1.00 0.00 C ATOM 1422 OG SER D 23 84.807 -1.923 7.767 1.00 0.00 O ATOM 0 HA SER D 23 84.478 -4.091 9.178 1.00 0.00 H new ATOM 0 HB2 SER D 23 84.400 -1.633 9.774 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.091 -1.502 9.333 1.00 0.00 H new ATOM 0 HG SER D 23 84.676 -0.975 7.555 1.00 0.00 H new ATOM 1427 N ASP D 24 86.289 -4.751 7.596 1.00 0.00 N ATOM 1428 CA ASP D 24 87.346 -5.323 6.775 1.00 0.00 C ATOM 1429 C ASP D 24 88.046 -4.209 5.982 1.00 0.00 C ATOM 1430 O ASP D 24 87.359 -3.384 5.392 1.00 0.00 O ATOM 1431 CB ASP D 24 86.743 -6.338 5.800 1.00 0.00 C ATOM 1432 CG ASP D 24 87.834 -6.925 4.913 1.00 0.00 C ATOM 1433 OD1 ASP D 24 88.455 -6.165 4.188 1.00 0.00 O ATOM 1434 OD2 ASP D 24 88.033 -8.127 4.969 1.00 0.00 O ATOM 0 H ASP D 24 85.344 -4.918 7.250 1.00 0.00 H new ATOM 0 HA ASP D 24 88.072 -5.820 7.418 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.246 -7.135 6.354 1.00 0.00 H new ATOM 0 HB3 ASP D 24 85.984 -5.856 5.185 1.00 0.00 H new ATOM 1439 N PRO D 25 89.371 -4.154 5.951 1.00 0.00 N ATOM 1440 CA PRO D 25 90.122 -3.098 5.185 1.00 0.00 C ATOM 1441 C PRO D 25 89.576 -2.863 3.767 1.00 0.00 C ATOM 1442 O PRO D 25 90.232 -3.188 2.776 1.00 0.00 O ATOM 1443 CB PRO D 25 91.554 -3.646 5.132 1.00 0.00 C ATOM 1444 CG PRO D 25 91.694 -4.488 6.357 1.00 0.00 C ATOM 1445 CD PRO D 25 90.304 -5.068 6.648 1.00 0.00 C ATOM 0 HA PRO D 25 90.037 -2.124 5.667 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.718 -4.234 4.229 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.285 -2.838 5.123 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.421 -5.284 6.199 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.050 -3.893 7.198 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.213 -6.088 6.276 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.103 -5.100 7.719 1.00 0.00 H new ATOM 1453 N LEU D 26 88.403 -2.305 3.684 1.00 0.00 N ATOM 1454 CA LEU D 26 87.783 -2.026 2.392 1.00 0.00 C ATOM 1455 C LEU D 26 88.620 -1.006 1.614 1.00 0.00 C ATOM 1456 O LEU D 26 88.811 -1.136 0.405 1.00 0.00 O ATOM 1457 CB LEU D 26 86.349 -1.474 2.615 1.00 0.00 C ATOM 1458 CG LEU D 26 85.291 -2.555 2.354 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.394 -3.644 3.421 1.00 0.00 C ATOM 1460 CD2 LEU D 26 83.899 -1.920 2.410 1.00 0.00 C ATOM 0 H LEU D 26 87.844 -2.028 4.491 1.00 0.00 H new ATOM 0 HA LEU D 26 87.730 -2.948 1.814 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.253 -1.107 3.637 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.176 -0.625 1.953 1.00 0.00 H new ATOM 0 HG LEU D 26 85.457 -2.996 1.371 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.642 -4.410 3.233 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.386 -4.094 3.387 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.228 -3.206 4.405 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.143 -2.683 2.225 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.739 -1.481 3.395 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.823 -1.143 1.650 1.00 0.00 H new ATOM 1472 N VAL D 27 89.073 0.005 2.303 1.00 0.00 N ATOM 1473 CA VAL D 27 89.848 1.067 1.673 1.00 0.00 C ATOM 1474 C VAL D 27 91.142 0.563 1.026 1.00 0.00 C ATOM 1475 O VAL D 27 91.398 0.868 -0.138 1.00 0.00 O ATOM 1476 CB VAL D 27 90.192 2.134 2.714 1.00 0.00 C ATOM 1477 CG1 VAL D 27 91.012 3.249 2.058 1.00 0.00 C ATOM 1478 CG2 VAL D 27 88.900 2.724 3.283 1.00 0.00 C ATOM 0 H VAL D 27 88.924 0.126 3.305 1.00 0.00 H new ATOM 0 HA VAL D 27 89.228 1.482 0.878 1.00 0.00 H new ATOM 0 HB VAL D 27 90.774 1.681 3.517 1.00 0.00 H new ATOM 0 HG11 VAL D 27 91.255 4.007 2.802 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.933 2.832 1.650 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.432 3.702 1.254 1.00 0.00 H new ATOM 0 HG21 VAL D 27 89.143 3.485 4.025 1.00 0.00 H new ATOM 0 HG22 VAL D 27 88.320 3.175 2.478 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.315 1.933 3.752 1.00 0.00 H new ATOM 1488 N VAL D 28 91.956 -0.175 1.744 1.00 0.00 N ATOM 1489 CA VAL D 28 93.216 -0.670 1.183 1.00 0.00 C ATOM 1490 C VAL D 28 93.002 -1.800 0.173 1.00 0.00 C ATOM 1491 O VAL D 28 93.821 -2.007 -0.723 1.00 0.00 O ATOM 1492 CB VAL D 28 94.128 -1.151 2.326 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.704 -2.548 2.795 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.581 -1.198 1.843 1.00 0.00 C ATOM 0 H VAL D 28 91.781 -0.450 2.710 1.00 0.00 H new ATOM 0 HA VAL D 28 93.686 0.153 0.645 1.00 0.00 H new ATOM 0 HB VAL D 28 94.040 -0.454 3.159 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.358 -2.875 3.603 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.675 -2.515 3.152 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.777 -3.249 1.963 1.00 0.00 H new ATOM 0 HG21 VAL D 28 96.223 -1.539 2.655 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.663 -1.887 1.002 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.892 -0.202 1.528 1.00 0.00 H new ATOM 1504 N ALA D 29 91.935 -2.528 0.342 1.00 0.00 N ATOM 1505 CA ALA D 29 91.642 -3.654 -0.537 1.00 0.00 C ATOM 1506 C ALA D 29 91.436 -3.206 -1.979 1.00 0.00 C ATOM 1507 O ALA D 29 91.855 -3.889 -2.908 1.00 0.00 O ATOM 1508 CB ALA D 29 90.390 -4.384 -0.049 1.00 0.00 C ATOM 0 H ALA D 29 91.245 -2.372 1.077 1.00 0.00 H new ATOM 0 HA ALA D 29 92.500 -4.325 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA D 29 90.177 -5.224 -0.711 1.00 0.00 H new ATOM 0 HB2 ALA D 29 90.555 -4.752 0.964 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.544 -3.697 -0.052 1.00 0.00 H new ATOM 1514 N ALA D 30 90.811 -2.079 -2.162 1.00 0.00 N ATOM 1515 CA ALA D 30 90.591 -1.585 -3.506 1.00 0.00 C ATOM 1516 C ALA D 30 91.894 -1.042 -4.099 1.00 0.00 C ATOM 1517 O ALA D 30 92.305 -1.420 -5.195 1.00 0.00 O ATOM 1518 CB ALA D 30 89.541 -0.505 -3.454 1.00 0.00 C ATOM 0 H ALA D 30 90.447 -1.487 -1.416 1.00 0.00 H new ATOM 0 HA ALA D 30 90.250 -2.398 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.363 -0.122 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.615 -0.917 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.885 0.306 -2.812 1.00 0.00 H new ATOM 1524 N SER D 31 92.509 -0.151 -3.368 1.00 0.00 N ATOM 1525 CA SER D 31 93.757 0.491 -3.785 1.00 0.00 C ATOM 1526 C SER D 31 94.856 -0.524 -4.098 1.00 0.00 C ATOM 1527 O SER D 31 95.750 -0.258 -4.901 1.00 0.00 O ATOM 1528 CB SER D 31 94.232 1.411 -2.666 1.00 0.00 C ATOM 1529 OG SER D 31 95.373 2.139 -3.103 1.00 0.00 O ATOM 0 H SER D 31 92.168 0.161 -2.459 1.00 0.00 H new ATOM 0 HA SER D 31 93.557 1.051 -4.698 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.435 2.099 -2.383 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.478 0.826 -1.780 1.00 0.00 H new ATOM 0 HG SER D 31 95.678 2.732 -2.385 1.00 0.00 H new ATOM 1535 N ILE D 32 94.792 -1.653 -3.461 1.00 0.00 N ATOM 1536 CA ILE D 32 95.806 -2.682 -3.677 1.00 0.00 C ATOM 1537 C ILE D 32 95.939 -2.975 -5.177 1.00 0.00 C ATOM 1538 O ILE D 32 97.046 -3.028 -5.704 1.00 0.00 O ATOM 1539 CB ILE D 32 95.478 -3.956 -2.858 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.774 -4.675 -2.446 1.00 0.00 C ATOM 1541 CG2 ILE D 32 94.604 -4.923 -3.663 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.651 -4.939 -3.676 1.00 0.00 C ATOM 0 H ILE D 32 94.063 -1.899 -2.791 1.00 0.00 H new ATOM 0 HA ILE D 32 96.770 -2.319 -3.322 1.00 0.00 H new ATOM 0 HB ILE D 32 94.931 -3.643 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.321 -4.068 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.534 -5.617 -1.953 1.00 0.00 H new ATOM 0 HG21 ILE D 32 94.391 -5.807 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE D 32 93.668 -4.432 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE D 32 95.130 -5.219 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE D 32 98.565 -5.448 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE D 32 97.107 -5.565 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.906 -3.992 -4.151 1.00 0.00 H new ATOM 1554 N ILE D 33 94.836 -3.162 -5.845 1.00 0.00 N ATOM 1555 CA ILE D 33 94.874 -3.446 -7.278 1.00 0.00 C ATOM 1556 C ILE D 33 95.441 -2.257 -8.056 1.00 0.00 C ATOM 1557 O ILE D 33 96.047 -2.433 -9.112 1.00 0.00 O ATOM 1558 CB ILE D 33 93.469 -3.771 -7.804 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.804 -4.803 -6.878 1.00 0.00 C ATOM 1560 CG2 ILE D 33 93.577 -4.337 -9.230 1.00 0.00 C ATOM 1561 CD1 ILE D 33 91.583 -5.426 -7.560 1.00 0.00 C ATOM 0 H ILE D 33 93.901 -3.126 -5.438 1.00 0.00 H new ATOM 0 HA ILE D 33 95.523 -4.310 -7.425 1.00 0.00 H new ATOM 0 HB ILE D 33 92.863 -2.865 -7.823 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.520 -5.583 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.503 -4.324 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE D 33 92.580 -4.569 -9.606 1.00 0.00 H new ATOM 0 HG22 ILE D 33 94.047 -3.599 -9.880 1.00 0.00 H new ATOM 0 HG23 ILE D 33 94.180 -5.245 -9.216 1.00 0.00 H new ATOM 0 HD11 ILE D 33 91.124 -6.154 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.860 -4.645 -7.797 1.00 0.00 H new ATOM 0 HD13 ILE D 33 91.894 -5.923 -8.479 1.00 0.00 H new ATOM 1573 N GLY D 34 95.184 -1.065 -7.588 1.00 0.00 N ATOM 1574 CA GLY D 34 95.601 0.141 -8.300 1.00 0.00 C ATOM 1575 C GLY D 34 97.039 0.104 -8.815 1.00 0.00 C ATOM 1576 O GLY D 34 97.284 0.522 -9.946 1.00 0.00 O ATOM 0 H GLY D 34 94.687 -0.890 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.930 0.301 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.488 0.998 -7.636 1.00 0.00 H new ATOM 1580 N ILE D 35 97.977 -0.359 -8.042 1.00 0.00 N ATOM 1581 CA ILE D 35 99.351 -0.381 -8.541 1.00 0.00 C ATOM 1582 C ILE D 35 99.453 -1.271 -9.783 1.00 0.00 C ATOM 1583 O ILE D 35 100.286 -1.039 -10.659 1.00 0.00 O ATOM 1584 CB ILE D 35 100.332 -0.840 -7.459 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.965 -2.239 -6.960 1.00 0.00 C ATOM 1586 CG2 ILE D 35 100.280 0.147 -6.291 1.00 0.00 C ATOM 1587 CD1 ILE D 35 101.137 -2.818 -6.162 1.00 0.00 C ATOM 0 H ILE D 35 97.842 -0.717 -7.097 1.00 0.00 H new ATOM 0 HA ILE D 35 99.624 0.637 -8.820 1.00 0.00 H new ATOM 0 HB ILE D 35 101.337 -0.874 -7.880 1.00 0.00 H new ATOM 0 HG12 ILE D 35 99.073 -2.192 -6.335 1.00 0.00 H new ATOM 0 HG13 ILE D 35 99.729 -2.888 -7.804 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.976 -0.171 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.558 1.141 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE D 35 99.269 0.175 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.877 -3.815 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE D 35 102.018 -2.879 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.351 -2.173 -5.310 1.00 0.00 H new ATOM 1599 N LEU D 36 98.608 -2.264 -9.850 1.00 0.00 N ATOM 1600 CA LEU D 36 98.593 -3.184 -10.989 1.00 0.00 C ATOM 1601 C LEU D 36 98.217 -2.446 -12.279 1.00 0.00 C ATOM 1602 O LEU D 36 98.891 -2.571 -13.302 1.00 0.00 O ATOM 1603 CB LEU D 36 97.567 -4.294 -10.724 1.00 0.00 C ATOM 1604 CG LEU D 36 97.791 -5.483 -11.682 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.859 -6.428 -11.118 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.481 -6.263 -11.851 1.00 0.00 C ATOM 0 H LEU D 36 97.912 -2.469 -9.133 1.00 0.00 H new ATOM 0 HA LEU D 36 99.589 -3.610 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.648 -4.632 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.558 -3.902 -10.852 1.00 0.00 H new ATOM 0 HG LEU D 36 98.123 -5.095 -12.645 1.00 0.00 H new ATOM 0 HD11 LEU D 36 99.006 -7.262 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.797 -5.886 -10.998 1.00 0.00 H new ATOM 0 HD13 LEU D 36 98.534 -6.808 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.642 -7.102 -12.528 1.00 0.00 H new ATOM 0 HD22 LEU D 36 96.152 -6.637 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.716 -5.605 -12.264 1.00 0.00 H new ATOM 1618 N HIS D 37 97.142 -1.713 -12.215 1.00 0.00 N ATOM 1619 CA HIS D 37 96.668 -0.979 -13.388 1.00 0.00 C ATOM 1620 C HIS D 37 97.687 0.072 -13.823 1.00 0.00 C ATOM 1621 O HIS D 37 97.817 0.367 -15.011 1.00 0.00 O ATOM 1622 CB HIS D 37 95.278 -0.349 -13.141 1.00 0.00 C ATOM 1623 CG HIS D 37 95.361 0.977 -12.414 1.00 0.00 C ATOM 1624 ND1 HIS D 37 96.300 1.956 -12.716 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.592 1.506 -11.406 1.00 0.00 C ATOM 1626 CE1 HIS D 37 96.078 3.000 -11.905 1.00 0.00 C ATOM 1627 NE2 HIS D 37 95.048 2.782 -11.085 1.00 0.00 N ATOM 0 H HIS D 37 96.571 -1.598 -11.378 1.00 0.00 H new ATOM 0 HA HIS D 37 96.557 -1.694 -14.203 1.00 0.00 H new ATOM 0 HB2 HIS D 37 94.774 -0.204 -14.096 1.00 0.00 H new ATOM 0 HB3 HIS D 37 94.668 -1.040 -12.560 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.759 1.007 -10.933 1.00 0.00 H new ATOM 0 HE1 HIS D 37 96.662 3.908 -11.914 1.00 0.00 H new ATOM 0 HE2 HIS D 37 94.675 3.414 -10.376 1.00 0.00 H new ATOM 1636 N PHE D 38 98.389 0.635 -12.874 1.00 0.00 N ATOM 1637 CA PHE D 38 99.382 1.661 -13.182 1.00 0.00 C ATOM 1638 C PHE D 38 100.547 1.083 -13.987 1.00 0.00 C ATOM 1639 O PHE D 38 100.931 1.641 -15.012 1.00 0.00 O ATOM 1640 CB PHE D 38 99.907 2.296 -11.888 1.00 0.00 C ATOM 1641 CG PHE D 38 101.048 3.243 -12.202 1.00 0.00 C ATOM 1642 CD1 PHE D 38 102.342 2.735 -12.374 1.00 0.00 C ATOM 1643 CD2 PHE D 38 100.818 4.623 -12.322 1.00 0.00 C ATOM 1644 CE1 PHE D 38 103.404 3.599 -12.664 1.00 0.00 C ATOM 1645 CE2 PHE D 38 101.882 5.486 -12.612 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.174 4.974 -12.783 1.00 0.00 C ATOM 0 H PHE D 38 98.301 0.410 -11.883 1.00 0.00 H new ATOM 0 HA PHE D 38 98.895 2.425 -13.788 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.104 2.835 -11.386 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.246 1.519 -11.203 1.00 0.00 H new ATOM 0 HD1 PHE D 38 102.521 1.674 -12.283 1.00 0.00 H new ATOM 0 HD2 PHE D 38 99.822 5.018 -12.191 1.00 0.00 H new ATOM 0 HE1 PHE D 38 104.401 3.205 -12.796 1.00 0.00 H new ATOM 0 HE2 PHE D 38 101.706 6.548 -12.704 1.00 0.00 H new ATOM 0 HZ PHE D 38 103.994 5.641 -13.007 1.00 0.00 H new ATOM 1656 N ILE D 39 101.113 -0.003 -13.528 1.00 0.00 N ATOM 1657 CA ILE D 39 102.244 -0.613 -14.224 1.00 0.00 C ATOM 1658 C ILE D 39 101.827 -1.148 -15.591 1.00 0.00 C ATOM 1659 O ILE D 39 102.560 -1.014 -16.569 1.00 0.00 O ATOM 1660 CB ILE D 39 102.816 -1.757 -13.383 1.00 0.00 C ATOM 1661 CG1 ILE D 39 103.381 -1.193 -12.076 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.935 -2.454 -14.161 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.730 -2.342 -11.129 1.00 0.00 C ATOM 0 H ILE D 39 100.820 -0.490 -12.681 1.00 0.00 H new ATOM 0 HA ILE D 39 103.004 0.155 -14.371 1.00 0.00 H new ATOM 0 HB ILE D 39 102.026 -2.475 -13.161 1.00 0.00 H new ATOM 0 HG12 ILE D 39 104.269 -0.595 -12.280 1.00 0.00 H new ATOM 0 HG13 ILE D 39 102.652 -0.532 -11.608 1.00 0.00 H new ATOM 0 HG21 ILE D 39 104.342 -3.268 -13.562 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.536 -2.854 -15.093 1.00 0.00 H new ATOM 0 HG23 ILE D 39 104.725 -1.737 -14.383 1.00 0.00 H new ATOM 0 HD11 ILE D 39 104.132 -1.938 -10.200 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.832 -2.922 -10.914 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.475 -2.986 -11.597 1.00 0.00 H new ATOM 1675 N ALA D 40 100.671 -1.746 -15.650 1.00 0.00 N ATOM 1676 CA ALA D 40 100.172 -2.300 -16.898 1.00 0.00 C ATOM 1677 C ALA D 40 99.992 -1.198 -17.929 1.00 0.00 C ATOM 1678 O ALA D 40 100.048 -1.434 -19.130 1.00 0.00 O ATOM 1679 CB ALA D 40 98.837 -3.008 -16.662 1.00 0.00 C ATOM 0 H ALA D 40 100.048 -1.868 -14.852 1.00 0.00 H new ATOM 0 HA ALA D 40 100.898 -3.021 -17.273 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.472 -3.419 -17.603 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.975 -3.815 -15.943 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.111 -2.295 -16.272 1.00 0.00 H new ATOM 1685 N TRP D 41 99.738 -0.020 -17.464 1.00 0.00 N ATOM 1686 CA TRP D 41 99.520 1.105 -18.357 1.00 0.00 C ATOM 1687 C TRP D 41 100.722 1.332 -19.272 1.00 0.00 C ATOM 1688 O TRP D 41 100.565 1.496 -20.483 1.00 0.00 O ATOM 1689 CB TRP D 41 99.266 2.356 -17.520 1.00 0.00 C ATOM 1690 CG TRP D 41 98.871 3.502 -18.396 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.672 4.109 -19.306 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.599 4.209 -18.436 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.963 5.125 -19.914 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.683 5.227 -19.411 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.389 4.062 -17.733 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.608 6.068 -19.680 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.306 4.914 -17.998 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.416 5.916 -18.973 1.00 0.00 C ATOM 0 H TRP D 41 99.673 0.204 -16.471 1.00 0.00 H new ATOM 0 HA TRP D 41 98.658 0.888 -18.988 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.479 2.160 -16.792 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.164 2.613 -16.958 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.696 3.841 -19.520 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.340 5.727 -20.646 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.293 3.289 -16.985 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.697 6.836 -20.434 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.384 4.798 -17.449 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.579 6.568 -19.176 1.00 0.00 H new ATOM 1709 N THR D 42 101.894 1.387 -18.698 1.00 0.00 N ATOM 1710 CA THR D 42 103.104 1.655 -19.476 1.00 0.00 C ATOM 1711 C THR D 42 103.237 0.732 -20.687 1.00 0.00 C ATOM 1712 O THR D 42 103.419 1.212 -21.807 1.00 0.00 O ATOM 1713 CB THR D 42 104.333 1.490 -18.583 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.396 0.153 -18.107 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.239 2.452 -17.399 1.00 0.00 C ATOM 0 H THR D 42 102.051 1.252 -17.699 1.00 0.00 H new ATOM 0 HA THR D 42 103.030 2.678 -19.846 1.00 0.00 H new ATOM 0 HB THR D 42 105.232 1.713 -19.158 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.646 -0.013 -17.498 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.116 2.333 -16.763 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.193 3.477 -17.766 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.340 2.233 -16.822 1.00 0.00 H new ATOM 1723 N ILE D 43 103.177 -0.558 -20.484 1.00 0.00 N ATOM 1724 CA ILE D 43 103.328 -1.484 -21.604 1.00 0.00 C ATOM 1725 C ILE D 43 102.386 -1.127 -22.748 1.00 0.00 C ATOM 1726 O ILE D 43 102.675 -1.428 -23.897 1.00 0.00 O ATOM 1727 CB ILE D 43 103.108 -2.938 -21.173 1.00 0.00 C ATOM 1728 CG1 ILE D 43 101.797 -3.065 -20.401 1.00 0.00 C ATOM 1729 CG2 ILE D 43 104.271 -3.389 -20.284 1.00 0.00 C ATOM 1730 CD1 ILE D 43 101.384 -4.537 -20.327 1.00 0.00 C ATOM 0 H ILE D 43 103.028 -0.997 -19.576 1.00 0.00 H new ATOM 0 HA ILE D 43 104.355 -1.388 -21.957 1.00 0.00 H new ATOM 0 HB ILE D 43 103.059 -3.568 -22.061 1.00 0.00 H new ATOM 0 HG12 ILE D 43 101.914 -2.659 -19.396 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.017 -2.482 -20.891 1.00 0.00 H new ATOM 0 HG21 ILE D 43 104.115 -4.423 -19.977 1.00 0.00 H new ATOM 0 HG22 ILE D 43 105.205 -3.313 -20.840 1.00 0.00 H new ATOM 0 HG23 ILE D 43 104.322 -2.752 -19.401 1.00 0.00 H new ATOM 0 HD11 ILE D 43 100.448 -4.625 -19.775 1.00 0.00 H new ATOM 0 HD12 ILE D 43 101.249 -4.928 -21.335 1.00 0.00 H new ATOM 0 HD13 ILE D 43 102.160 -5.108 -19.817 1.00 0.00 H new ATOM 1742 N GLY D 44 101.275 -0.509 -22.453 1.00 0.00 N ATOM 1743 CA GLY D 44 100.342 -0.149 -23.516 1.00 0.00 C ATOM 1744 C GLY D 44 100.989 0.818 -24.509 1.00 0.00 C ATOM 1745 O GLY D 44 100.956 0.589 -25.718 1.00 0.00 O ATOM 0 H GLY D 44 100.987 -0.244 -21.511 1.00 0.00 H new ATOM 0 HA2 GLY D 44 100.016 -1.048 -24.039 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.452 0.309 -23.084 1.00 0.00 H new ATOM 1749 N HIS D 45 101.553 1.889 -24.008 1.00 0.00 N ATOM 1750 CA HIS D 45 102.187 2.888 -24.868 1.00 0.00 C ATOM 1751 C HIS D 45 103.176 2.249 -25.837 1.00 0.00 C ATOM 1752 O HIS D 45 103.412 2.769 -26.926 1.00 0.00 O ATOM 1753 CB HIS D 45 102.915 3.931 -24.020 1.00 0.00 C ATOM 1754 CG HIS D 45 103.494 4.989 -24.922 1.00 0.00 C ATOM 1755 ND1 HIS D 45 104.546 4.729 -25.788 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.178 6.313 -25.105 1.00 0.00 C ATOM 1757 CE1 HIS D 45 104.820 5.871 -26.448 1.00 0.00 C ATOM 1758 NE2 HIS D 45 104.017 6.868 -26.068 1.00 0.00 N ATOM 0 H HIS D 45 101.592 2.102 -23.011 1.00 0.00 H new ATOM 0 HA HIS D 45 101.398 3.367 -25.447 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.225 4.382 -23.307 1.00 0.00 H new ATOM 0 HB3 HIS D 45 103.707 3.457 -23.441 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.397 6.844 -24.581 1.00 0.00 H new ATOM 0 HE1 HIS D 45 105.595 5.968 -27.194 1.00 0.00 H new ATOM 0 HE2 HIS D 45 104.018 7.829 -26.410 1.00 0.00 H new ATOM 1767 N LEU D 46 103.759 1.156 -25.443 1.00 0.00 N ATOM 1768 CA LEU D 46 104.736 0.469 -26.275 1.00 0.00 C ATOM 1769 C LEU D 46 104.247 0.291 -27.712 1.00 0.00 C ATOM 1770 O LEU D 46 105.066 0.105 -28.611 1.00 0.00 O ATOM 1771 CB LEU D 46 105.166 -0.884 -25.622 1.00 0.00 C ATOM 1772 CG LEU D 46 104.661 -2.129 -26.397 1.00 0.00 C ATOM 1773 CD1 LEU D 46 105.207 -3.389 -25.712 1.00 0.00 C ATOM 1774 CD2 LEU D 46 103.110 -2.174 -26.434 1.00 0.00 C ATOM 0 H LEU D 46 103.581 0.708 -24.544 1.00 0.00 H new ATOM 0 HA LEU D 46 105.622 1.101 -26.336 1.00 0.00 H new ATOM 0 HB2 LEU D 46 106.254 -0.920 -25.560 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.787 -0.923 -24.601 1.00 0.00 H new ATOM 0 HG LEU D 46 105.016 -2.076 -27.426 1.00 0.00 H new ATOM 0 HD11 LEU D 46 104.860 -4.273 -26.247 1.00 0.00 H new ATOM 0 HD12 LEU D 46 106.297 -3.365 -25.720 1.00 0.00 H new ATOM 0 HD13 LEU D 46 104.853 -3.425 -24.682 1.00 0.00 H new ATOM 0 HD21 LEU D 46 102.785 -3.057 -26.984 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.723 -2.217 -25.416 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.732 -1.279 -26.928 1.00 0.00 H new ATOM 1786 N ASN D 47 102.960 0.331 -27.953 1.00 0.00 N ATOM 1787 CA ASN D 47 102.487 0.151 -29.317 1.00 0.00 C ATOM 1788 C ASN D 47 102.869 1.344 -30.196 1.00 0.00 C ATOM 1789 O ASN D 47 103.492 1.163 -31.243 1.00 0.00 O ATOM 1790 CB ASN D 47 100.963 0.010 -29.294 1.00 0.00 C ATOM 1791 CG ASN D 47 100.571 -1.359 -28.752 1.00 0.00 C ATOM 1792 OD1 ASN D 47 100.535 -2.337 -29.498 1.00 0.00 O ATOM 1793 ND2 ASN D 47 100.273 -1.488 -27.487 1.00 0.00 N ATOM 0 H ASN D 47 102.235 0.481 -27.252 1.00 0.00 H new ATOM 0 HA ASN D 47 102.951 -0.743 -29.734 1.00 0.00 H new ATOM 0 HB2 ASN D 47 100.527 0.793 -28.674 1.00 0.00 H new ATOM 0 HB3 ASN D 47 100.563 0.140 -30.300 1.00 0.00 H new ATOM 0 HD21 ASN D 47 100.010 -2.401 -27.116 1.00 0.00 H new ATOM 0 HD22 ASN D 47 100.304 -0.676 -26.870 1.00 0.00 H new ATOM 1800 N GLN D 48 102.478 2.536 -29.808 1.00 0.00 N ATOM 1801 CA GLN D 48 102.760 3.727 -30.601 1.00 0.00 C ATOM 1802 C GLN D 48 104.191 3.765 -31.132 1.00 0.00 C ATOM 1803 O GLN D 48 104.450 4.414 -32.146 1.00 0.00 O ATOM 1804 CB GLN D 48 102.486 4.988 -29.753 1.00 0.00 C ATOM 1805 CG GLN D 48 101.393 4.722 -28.697 1.00 0.00 C ATOM 1806 CD GLN D 48 100.250 3.868 -29.254 1.00 0.00 C ATOM 1807 OE1 GLN D 48 100.003 3.851 -30.458 1.00 0.00 O ATOM 1808 NE2 GLN D 48 99.530 3.154 -28.432 1.00 0.00 N ATOM 0 H GLN D 48 101.962 2.715 -28.947 1.00 0.00 H new ATOM 0 HA GLN D 48 102.101 3.698 -31.468 1.00 0.00 H new ATOM 0 HB2 GLN D 48 103.405 5.304 -29.258 1.00 0.00 H new ATOM 0 HB3 GLN D 48 102.176 5.807 -30.403 1.00 0.00 H new ATOM 0 HG2 GLN D 48 101.835 4.219 -27.837 1.00 0.00 H new ATOM 0 HG3 GLN D 48 100.995 5.672 -28.341 1.00 0.00 H new ATOM 0 HE21 GLN D 48 99.734 3.167 -27.433 1.00 0.00 H new ATOM 0 HE22 GLN D 48 98.764 2.583 -28.789 1.00 0.00 H new ATOM 1817 N ILE D 49 105.106 3.103 -30.479 1.00 0.00 N ATOM 1818 CA ILE D 49 106.493 3.113 -30.943 1.00 0.00 C ATOM 1819 C ILE D 49 106.542 2.868 -32.450 1.00 0.00 C ATOM 1820 O ILE D 49 106.606 3.814 -33.234 1.00 0.00 O ATOM 1821 CB ILE D 49 107.310 2.057 -30.194 1.00 0.00 C ATOM 1822 CG1 ILE D 49 107.237 2.356 -28.692 1.00 0.00 C ATOM 1823 CG2 ILE D 49 108.771 2.113 -30.660 1.00 0.00 C ATOM 1824 CD1 ILE D 49 108.010 1.294 -27.907 1.00 0.00 C ATOM 0 H ILE D 49 104.935 2.554 -29.636 1.00 0.00 H new ATOM 0 HA ILE D 49 106.929 4.091 -30.738 1.00 0.00 H new ATOM 0 HB ILE D 49 106.910 1.063 -30.395 1.00 0.00 H new ATOM 0 HG12 ILE D 49 107.652 3.343 -28.489 1.00 0.00 H new ATOM 0 HG13 ILE D 49 106.197 2.374 -28.367 1.00 0.00 H new ATOM 0 HG21 ILE D 49 109.352 1.361 -30.126 1.00 0.00 H new ATOM 0 HG22 ILE D 49 108.819 1.916 -31.731 1.00 0.00 H new ATOM 0 HG23 ILE D 49 109.181 3.102 -30.454 1.00 0.00 H new ATOM 0 HD11 ILE D 49 107.952 1.515 -26.841 1.00 0.00 H new ATOM 0 HD12 ILE D 49 107.576 0.313 -28.098 1.00 0.00 H new ATOM 0 HD13 ILE D 49 109.054 1.297 -28.222 1.00 0.00 H new ATOM 1836 N LYS D 50 106.510 1.624 -32.842 1.00 0.00 N ATOM 1837 CA LYS D 50 106.547 1.274 -34.262 1.00 0.00 C ATOM 1838 C LYS D 50 105.672 2.223 -35.084 1.00 0.00 C ATOM 1839 O LYS D 50 105.994 2.542 -36.229 1.00 0.00 O ATOM 1840 CB LYS D 50 106.055 -0.166 -34.452 1.00 0.00 C ATOM 1841 CG LYS D 50 106.464 -0.692 -35.842 1.00 0.00 C ATOM 1842 CD LYS D 50 107.878 -1.284 -35.791 1.00 0.00 C ATOM 1843 CE LYS D 50 108.224 -1.895 -37.148 1.00 0.00 C ATOM 1844 NZ LYS D 50 109.595 -2.474 -37.098 1.00 0.00 N ATOM 0 H LYS D 50 106.458 0.826 -32.209 1.00 0.00 H new ATOM 0 HA LYS D 50 107.576 1.363 -34.609 1.00 0.00 H new ATOM 0 HB2 LYS D 50 106.474 -0.806 -33.676 1.00 0.00 H new ATOM 0 HB3 LYS D 50 104.971 -0.204 -34.346 1.00 0.00 H new ATOM 0 HG2 LYS D 50 105.756 -1.451 -36.174 1.00 0.00 H new ATOM 0 HG3 LYS D 50 106.427 0.118 -36.570 1.00 0.00 H new ATOM 0 HD2 LYS D 50 108.600 -0.508 -35.535 1.00 0.00 H new ATOM 0 HD3 LYS D 50 107.938 -2.044 -35.012 1.00 0.00 H new ATOM 0 HE2 LYS D 50 107.500 -2.669 -37.405 1.00 0.00 H new ATOM 0 HE3 LYS D 50 108.167 -1.134 -37.926 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 109.830 -2.890 -38.022 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 110.280 -1.725 -36.871 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 109.634 -3.212 -36.366 1.00 0.00 H new ATOM 1858 N ARG D 51 104.591 2.663 -34.501 1.00 0.00 N ATOM 1859 CA ARG D 51 103.682 3.579 -35.185 1.00 0.00 C ATOM 1860 C ARG D 51 103.066 2.903 -36.411 1.00 0.00 C ATOM 1861 O ARG D 51 101.874 2.595 -36.429 1.00 0.00 O ATOM 1862 CB ARG D 51 104.443 4.847 -35.607 1.00 0.00 C ATOM 1863 CG ARG D 51 103.480 6.040 -35.704 1.00 0.00 C ATOM 1864 CD ARG D 51 102.424 5.773 -36.779 1.00 0.00 C ATOM 1865 NE ARG D 51 101.783 7.022 -37.174 1.00 0.00 N ATOM 1866 CZ ARG D 51 102.420 7.911 -37.887 1.00 0.00 C ATOM 1867 NH1 ARG D 51 103.652 7.691 -38.259 1.00 0.00 N ATOM 1868 NH2 ARG D 51 101.824 9.021 -38.230 1.00 0.00 N ATOM 0 H ARG D 51 104.307 2.410 -33.555 1.00 0.00 H new ATOM 0 HA ARG D 51 102.879 3.854 -34.502 1.00 0.00 H new ATOM 0 HB2 ARG D 51 105.230 5.064 -34.885 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.929 4.684 -36.569 1.00 0.00 H new ATOM 0 HG2 ARG D 51 102.997 6.207 -34.741 1.00 0.00 H new ATOM 0 HG3 ARG D 51 104.034 6.947 -35.944 1.00 0.00 H new ATOM 0 HD2 ARG D 51 102.888 5.303 -37.646 1.00 0.00 H new ATOM 0 HD3 ARG D 51 101.677 5.076 -36.400 1.00 0.00 H new ATOM 0 HE ARG D 51 100.821 7.204 -36.888 1.00 0.00 H new ATOM 0 HH11 ARG D 51 104.118 6.824 -37.993 1.00 0.00 H new ATOM 0 HH12 ARG D 51 104.148 8.386 -38.816 1.00 0.00 H new ATOM 0 HH21 ARG D 51 100.861 9.193 -37.941 1.00 0.00 H new ATOM 0 HH22 ARG D 51 102.321 9.716 -38.787 1.00 0.00 H new ATOM 1882 N GLY D 52 103.871 2.684 -37.413 1.00 0.00 N ATOM 1883 CA GLY D 52 103.395 2.047 -38.636 1.00 0.00 C ATOM 1884 C GLY D 52 102.174 2.773 -39.190 1.00 0.00 C ATOM 0 H GLY D 52 104.860 2.932 -37.419 1.00 0.00 H new ATOM 0 HA2 GLY D 52 104.190 2.044 -39.382 1.00 0.00 H new ATOM 0 HA3 GLY D 52 103.143 1.006 -38.434 1.00 0.00 H new