USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1097 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 LYS NZ :NH3+ -167:sc= 0.447 (180deg=0) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= 0.389 F(o=-0.17,f=0.84) USER MOD Set 2.1: A 51 THR OG1 : rot 105:sc= -0.86! USER MOD Set 2.2: A 97 MET CE :methyl 160:sc= -6.16! (180deg=-7.14!) USER MOD Set 3.1: A 92 ASN : amide:sc= -0.173 K(o=-0.33,f=-1.3) USER MOD Set 3.2: A 93 ASN : amide:sc= -0.159 K(o=-0.33,f=-1.1) USER MOD Set 4.1: A 59 MET CE :methyl -126:sc= -9.69! (180deg=-7.38!) USER MOD Set 4.2: A 88 MET CE :methyl -139:sc= -15.7! (180deg=-18.4!) USER MOD Set 4.3: B 72 THR OG1 : rot 87:sc= -0.356! USER MOD Set 5.1: A 13 SER OG : rot 82:sc= 0.0316 USER MOD Set 5.2: A 32 THR OG1 : rot 180:sc= 0.161 USER MOD Set 6.1: A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 2 SER OG : rot 121:sc= 0.347 USER MOD Set 7.2: A 3 HIS : no HE2:sc= -7.33! C(o=-5.5!,f=-11!) USER MOD Set 7.3: A 103 THR OG1 : rot 174:sc= 1.52 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.143) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -61:sc= -0.375 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.12) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 43 SER OG : rot -150:sc=-0.00924 USER MOD Single : A 44 THR OG1 : rot -42:sc= 1.21 USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= -0.645 (180deg=-1.22) USER MOD Single : A 49 GLN : amide:sc= -7.05! C(o=-7!,f=-9.9!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0708 USER MOD Single : A 55 SER OG : rot -130:sc= -2.41! USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= -0.0117 (180deg=-0.0482) USER MOD Single : A 58 MET CE :methyl -168:sc= -0.323 (180deg=-0.758) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.906 (180deg=-1.94!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -0.0414 (180deg=-0.272) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.674 (180deg=-1.26) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.29) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 87 HIS : no HD1:sc= -3.43 X(o=-3.4,f=-3.3!) USER MOD Single : A 90 SER OG : rot 147:sc= 0.202 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.7!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 7:sc= 0.555 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 THR OG1 : rot 50:sc= -1.21 USER MOD Single : B 81 ASN : amide:sc= -0.222 K(o=-0.22,f=-3.8!) USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.228 -17.936 4.598 1.00 0.00 N ATOM 2 CA PRO A 1 2.269 -17.509 5.555 1.00 0.00 C ATOM 3 C PRO A 1 2.211 -16.007 5.834 1.00 0.00 C ATOM 4 O PRO A 1 3.243 -15.358 6.000 1.00 0.00 O ATOM 5 CB PRO A 1 3.600 -17.875 4.916 1.00 0.00 C ATOM 6 CG PRO A 1 3.278 -18.056 3.460 1.00 0.00 C ATOM 7 CD PRO A 1 1.809 -17.712 3.275 1.00 0.00 C ATOM 0 H2 PRO A 1 0.371 -17.396 4.720 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.984 -18.917 4.732 1.00 0.00 H new ATOM 0 HA PRO A 1 2.125 -18.001 6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.341 -17.090 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 1 4.011 -18.787 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.904 -17.410 2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.475 -19.082 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.678 -16.680 2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.342 -18.345 2.521 1.00 0.00 H new ATOM 17 N SER A 2 1.001 -15.469 5.884 1.00 0.00 N ATOM 18 CA SER A 2 0.794 -14.045 6.143 1.00 0.00 C ATOM 19 C SER A 2 1.260 -13.194 4.962 1.00 0.00 C ATOM 20 O SER A 2 1.539 -12.005 5.116 1.00 0.00 O ATOM 21 CB SER A 2 1.524 -13.620 7.421 1.00 0.00 C ATOM 22 OG SER A 2 2.859 -13.232 7.148 1.00 0.00 O ATOM 0 H SER A 2 0.140 -15.999 5.748 1.00 0.00 H new ATOM 0 HA SER A 2 -0.276 -13.883 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.991 -12.792 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.521 -14.444 8.135 1.00 0.00 H new ATOM 0 HG SER A 2 2.997 -12.307 7.440 1.00 0.00 H new ATOM 28 N HIS A 3 1.337 -13.808 3.784 1.00 0.00 N ATOM 29 CA HIS A 3 1.762 -13.104 2.577 1.00 0.00 C ATOM 30 C HIS A 3 0.681 -13.166 1.512 1.00 0.00 C ATOM 31 O HIS A 3 0.442 -12.194 0.796 1.00 0.00 O ATOM 32 CB HIS A 3 3.064 -13.701 2.037 1.00 0.00 C ATOM 33 CG HIS A 3 4.252 -13.464 2.919 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.262 -13.763 4.265 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.477 -12.956 2.640 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.440 -13.449 4.776 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.194 -12.958 3.811 1.00 0.00 N ATOM 0 H HIS A 3 1.111 -14.792 3.639 1.00 0.00 H new ATOM 0 HA HIS A 3 1.936 -12.060 2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.932 -14.775 1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.265 -13.279 1.052 1.00 0.00 H new ATOM 0 HD1 HIS A 3 3.482 -14.164 4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.824 -12.614 1.676 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.735 -13.573 5.807 1.00 0.00 H new ATOM 46 N SER A 4 0.024 -14.309 1.421 1.00 0.00 N ATOM 47 CA SER A 4 -1.043 -14.492 0.450 1.00 0.00 C ATOM 48 C SER A 4 -2.385 -14.104 1.050 1.00 0.00 C ATOM 49 O SER A 4 -2.726 -14.503 2.163 1.00 0.00 O ATOM 50 CB SER A 4 -1.096 -15.935 -0.051 1.00 0.00 C ATOM 51 OG SER A 4 -1.406 -16.831 1.002 1.00 0.00 O ATOM 0 H SER A 4 0.209 -15.124 2.006 1.00 0.00 H new ATOM 0 HA SER A 4 -0.831 -13.842 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.844 -16.022 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.136 -16.205 -0.492 1.00 0.00 H new ATOM 0 HG SER A 4 -1.435 -17.747 0.654 1.00 0.00 H new ATOM 57 N GLY A 5 -3.134 -13.321 0.298 1.00 0.00 N ATOM 58 CA GLY A 5 -4.433 -12.869 0.740 1.00 0.00 C ATOM 59 C GLY A 5 -5.274 -12.413 -0.426 1.00 0.00 C ATOM 60 O GLY A 5 -4.829 -12.470 -1.570 1.00 0.00 O ATOM 0 H GLY A 5 -2.861 -12.985 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.943 -13.676 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.315 -12.050 1.450 1.00 0.00 H new ATOM 64 N ALA A 6 -6.487 -11.962 -0.153 1.00 0.00 N ATOM 65 CA ALA A 6 -7.362 -11.500 -1.216 1.00 0.00 C ATOM 66 C ALA A 6 -7.427 -9.982 -1.249 1.00 0.00 C ATOM 67 O ALA A 6 -7.452 -9.325 -0.208 1.00 0.00 O ATOM 68 CB ALA A 6 -8.751 -12.094 -1.068 1.00 0.00 C ATOM 0 H ALA A 6 -6.884 -11.906 0.785 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.945 -11.840 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.389 -11.734 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.688 -13.181 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.175 -11.794 -0.110 1.00 0.00 H new ATOM 74 N ALA A 7 -7.446 -9.433 -2.455 1.00 0.00 N ATOM 75 CA ALA A 7 -7.500 -7.992 -2.635 1.00 0.00 C ATOM 76 C ALA A 7 -8.211 -7.631 -3.927 1.00 0.00 C ATOM 77 O ALA A 7 -8.304 -8.448 -4.843 1.00 0.00 O ATOM 78 CB ALA A 7 -6.096 -7.407 -2.618 1.00 0.00 C ATOM 0 H ALA A 7 -7.425 -9.966 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.068 -7.566 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.150 -6.327 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.621 -7.629 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.509 -7.845 -3.425 1.00 0.00 H new ATOM 84 N ILE A 8 -8.716 -6.405 -4.002 1.00 0.00 N ATOM 85 CA ILE A 8 -9.416 -5.960 -5.193 1.00 0.00 C ATOM 86 C ILE A 8 -8.911 -4.606 -5.672 1.00 0.00 C ATOM 87 O ILE A 8 -8.578 -3.731 -4.873 1.00 0.00 O ATOM 88 CB ILE A 8 -10.932 -5.880 -4.953 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.477 -7.253 -4.584 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.632 -5.351 -6.195 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.597 -7.200 -3.572 1.00 0.00 C ATOM 0 H ILE A 8 -8.653 -5.710 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.215 -6.701 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.122 -5.195 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.835 -7.748 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.666 -7.863 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.705 -5.299 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.255 -4.356 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.438 -6.019 -7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.939 -8.212 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.237 -6.733 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.425 -6.617 -3.975 1.00 0.00 H new ATOM 103 N PHE A 9 -8.865 -4.450 -6.987 1.00 0.00 N ATOM 104 CA PHE A 9 -8.410 -3.210 -7.600 1.00 0.00 C ATOM 105 C PHE A 9 -9.182 -2.938 -8.889 1.00 0.00 C ATOM 106 O PHE A 9 -9.528 -3.864 -9.622 1.00 0.00 O ATOM 107 CB PHE A 9 -6.909 -3.280 -7.882 1.00 0.00 C ATOM 108 CG PHE A 9 -6.373 -2.058 -8.564 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.496 -1.910 -9.933 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.748 -1.058 -7.837 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.005 -0.786 -10.570 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.255 0.069 -8.465 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.384 0.206 -9.834 1.00 0.00 C ATOM 0 H PHE A 9 -9.139 -5.171 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.597 -2.390 -6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.377 -3.425 -6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.704 -4.152 -8.502 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.982 -2.682 -10.512 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.645 -1.161 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.106 -0.683 -11.640 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.770 0.842 -7.887 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.000 1.086 -10.328 1.00 0.00 H new ATOM 123 N GLU A 10 -9.458 -1.664 -9.155 1.00 0.00 N ATOM 124 CA GLU A 10 -10.200 -1.269 -10.348 1.00 0.00 C ATOM 125 C GLU A 10 -11.462 -2.106 -10.514 1.00 0.00 C ATOM 126 O GLU A 10 -11.880 -2.409 -11.631 1.00 0.00 O ATOM 127 CB GLU A 10 -9.324 -1.382 -11.594 1.00 0.00 C ATOM 128 CG GLU A 10 -8.748 -0.049 -12.032 1.00 0.00 C ATOM 129 CD GLU A 10 -7.895 -0.161 -13.280 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.150 -1.073 -14.095 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.971 0.663 -13.444 1.00 0.00 O ATOM 0 H GLU A 10 -9.178 -0.886 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.495 -0.227 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.508 -2.078 -11.397 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.912 -1.803 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.563 0.651 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.147 0.366 -11.223 1.00 0.00 H new ATOM 138 N LYS A 11 -12.071 -2.466 -9.390 1.00 0.00 N ATOM 139 CA LYS A 11 -13.297 -3.257 -9.398 1.00 0.00 C ATOM 140 C LYS A 11 -13.039 -4.691 -9.856 1.00 0.00 C ATOM 141 O LYS A 11 -13.975 -5.415 -10.195 1.00 0.00 O ATOM 142 CB LYS A 11 -14.352 -2.604 -10.300 1.00 0.00 C ATOM 143 CG LYS A 11 -14.247 -1.087 -10.376 1.00 0.00 C ATOM 144 CD LYS A 11 -15.569 -0.456 -10.779 1.00 0.00 C ATOM 145 CE LYS A 11 -15.689 -0.328 -12.289 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.228 -1.569 -12.910 1.00 0.00 N ATOM 0 H LYS A 11 -11.735 -2.222 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.670 -3.291 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.261 -3.015 -11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.344 -2.872 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.935 -0.694 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.476 -0.810 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.393 -1.060 -10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.657 0.529 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.340 0.512 -12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.710 -0.105 -12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.548 -1.362 -13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.483 -2.294 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.030 -1.919 -12.347 1.00 0.00 H new ATOM 160 N VAL A 12 -11.775 -5.109 -9.851 1.00 0.00 N ATOM 161 CA VAL A 12 -11.426 -6.464 -10.253 1.00 0.00 C ATOM 162 C VAL A 12 -10.795 -7.205 -9.086 1.00 0.00 C ATOM 163 O VAL A 12 -9.806 -6.747 -8.516 1.00 0.00 O ATOM 164 CB VAL A 12 -10.454 -6.479 -11.448 1.00 0.00 C ATOM 165 CG1 VAL A 12 -10.390 -7.870 -12.060 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.867 -5.448 -12.489 1.00 0.00 C ATOM 0 H VAL A 12 -10.982 -4.531 -9.574 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.347 -6.959 -10.560 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.459 -6.216 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.699 -7.865 -12.903 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.043 -8.582 -11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.382 -8.162 -12.405 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.168 -5.475 -13.325 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.871 -5.676 -12.848 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.859 -4.455 -12.040 1.00 0.00 H new ATOM 176 N SER A 13 -11.380 -8.338 -8.716 1.00 0.00 N ATOM 177 CA SER A 13 -10.870 -9.112 -7.594 1.00 0.00 C ATOM 178 C SER A 13 -9.784 -10.088 -8.019 1.00 0.00 C ATOM 179 O SER A 13 -9.717 -10.513 -9.172 1.00 0.00 O ATOM 180 CB SER A 13 -11.999 -9.863 -6.893 1.00 0.00 C ATOM 181 OG SER A 13 -12.623 -10.785 -7.771 1.00 0.00 O ATOM 0 H SER A 13 -12.200 -8.737 -9.172 1.00 0.00 H new ATOM 0 HA SER A 13 -10.426 -8.402 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.604 -10.392 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.738 -9.152 -6.523 1.00 0.00 H new ATOM 0 HG SER A 13 -12.092 -11.608 -7.813 1.00 0.00 H new ATOM 187 N GLY A 14 -8.929 -10.415 -7.061 1.00 0.00 N ATOM 188 CA GLY A 14 -7.823 -11.319 -7.299 1.00 0.00 C ATOM 189 C GLY A 14 -7.141 -11.705 -6.005 1.00 0.00 C ATOM 190 O GLY A 14 -7.565 -11.284 -4.929 1.00 0.00 O ATOM 0 H GLY A 14 -8.985 -10.062 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.185 -12.215 -7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.102 -10.847 -7.966 1.00 0.00 H new ATOM 194 N ILE A 15 -6.082 -12.496 -6.097 1.00 0.00 N ATOM 195 CA ILE A 15 -5.356 -12.913 -4.908 1.00 0.00 C ATOM 196 C ILE A 15 -4.023 -12.188 -4.844 1.00 0.00 C ATOM 197 O ILE A 15 -3.287 -12.118 -5.827 1.00 0.00 O ATOM 198 CB ILE A 15 -5.105 -14.436 -4.872 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.291 -15.192 -5.478 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.855 -14.897 -3.440 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.123 -15.499 -6.950 1.00 0.00 C ATOM 0 H ILE A 15 -5.709 -12.859 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.975 -12.659 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.219 -14.654 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.432 -16.126 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.197 -14.602 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.680 -15.973 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.981 -14.383 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.725 -14.665 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.000 -16.035 -7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.012 -14.568 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.236 -16.115 -7.094 1.00 0.00 H new ATOM 213 N ILE A 16 -3.745 -11.618 -3.683 1.00 0.00 N ATOM 214 CA ILE A 16 -2.531 -10.851 -3.467 1.00 0.00 C ATOM 215 C ILE A 16 -1.529 -11.642 -2.625 1.00 0.00 C ATOM 216 O ILE A 16 -1.861 -12.104 -1.536 1.00 0.00 O ATOM 217 CB ILE A 16 -2.873 -9.527 -2.753 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.619 -8.693 -2.502 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.612 -9.795 -1.449 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.927 -7.245 -2.192 1.00 0.00 C ATOM 0 H ILE A 16 -4.353 -11.674 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.080 -10.641 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.528 -8.954 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.061 -9.126 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.974 -8.742 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.844 -8.848 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.537 -10.331 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.984 -10.397 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.996 -6.703 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.460 -6.798 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.547 -7.188 -1.298 1.00 0.00 H new ATOM 232 N ALA A 17 -0.306 -11.817 -3.131 1.00 0.00 N ATOM 233 CA ALA A 17 0.702 -12.576 -2.394 1.00 0.00 C ATOM 234 C ALA A 17 2.075 -11.919 -2.462 1.00 0.00 C ATOM 235 O ALA A 17 2.462 -11.381 -3.496 1.00 0.00 O ATOM 236 CB ALA A 17 0.775 -13.999 -2.925 1.00 0.00 C ATOM 0 H ALA A 17 0.005 -11.451 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 17 0.400 -12.593 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.529 -14.556 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.195 -14.482 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.043 -13.980 -3.981 1.00 0.00 H new ATOM 242 N ILE A 18 2.813 -11.980 -1.352 1.00 0.00 N ATOM 243 CA ILE A 18 4.152 -11.401 -1.285 1.00 0.00 C ATOM 244 C ILE A 18 5.211 -12.441 -1.640 1.00 0.00 C ATOM 245 O ILE A 18 5.076 -13.621 -1.317 1.00 0.00 O ATOM 246 CB ILE A 18 4.456 -10.836 0.118 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.455 -9.742 0.479 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.878 -10.294 0.183 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.103 -9.718 1.948 1.00 0.00 C ATOM 0 H ILE A 18 2.504 -12.425 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 18 4.182 -10.586 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 18 4.364 -11.646 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.867 -8.774 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.545 -9.885 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.072 -9.900 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.583 -11.096 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.998 -9.497 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.388 -8.918 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.662 -10.674 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.005 -9.545 2.535 1.00 0.00 H new ATOM 261 N ASN A 19 6.262 -11.988 -2.310 1.00 0.00 N ATOM 262 CA ASN A 19 7.355 -12.861 -2.723 1.00 0.00 C ATOM 263 C ASN A 19 8.685 -12.350 -2.199 1.00 0.00 C ATOM 264 O ASN A 19 9.184 -11.315 -2.643 1.00 0.00 O ATOM 265 CB ASN A 19 7.403 -12.963 -4.248 1.00 0.00 C ATOM 266 CG ASN A 19 6.236 -13.750 -4.812 1.00 0.00 C ATOM 267 OD1 ASN A 19 6.175 -14.972 -4.682 1.00 0.00 O ATOM 268 ND2 ASN A 19 5.300 -13.050 -5.444 1.00 0.00 N ATOM 0 H ASN A 19 6.382 -11.012 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 19 7.175 -13.850 -2.303 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.403 -11.961 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.337 -13.438 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.491 -13.525 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.390 -12.038 -5.529 1.00 0.00 H new ATOM 275 N GLU A 20 9.261 -13.096 -1.263 1.00 0.00 N ATOM 276 CA GLU A 20 10.547 -12.739 -0.685 1.00 0.00 C ATOM 277 C GLU A 20 11.627 -13.670 -1.209 1.00 0.00 C ATOM 278 O GLU A 20 12.634 -13.921 -0.546 1.00 0.00 O ATOM 279 CB GLU A 20 10.489 -12.795 0.843 1.00 0.00 C ATOM 280 CG GLU A 20 9.646 -11.692 1.461 1.00 0.00 C ATOM 281 CD GLU A 20 10.126 -11.297 2.844 1.00 0.00 C ATOM 282 OE1 GLU A 20 11.146 -10.582 2.936 1.00 0.00 O ATOM 283 OE2 GLU A 20 9.482 -11.703 3.834 1.00 0.00 O ATOM 0 H GLU A 20 8.855 -13.954 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 20 10.788 -11.717 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.088 -13.761 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.502 -12.731 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.665 -10.818 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.609 -12.023 1.521 1.00 0.00 H new ATOM 290 N ASP A 21 11.402 -14.171 -2.414 1.00 0.00 N ATOM 291 CA ASP A 21 12.341 -15.074 -3.065 1.00 0.00 C ATOM 292 C ASP A 21 13.204 -14.312 -4.063 1.00 0.00 C ATOM 293 O ASP A 21 14.330 -14.712 -4.359 1.00 0.00 O ATOM 294 CB ASP A 21 11.592 -16.203 -3.774 1.00 0.00 C ATOM 295 CG ASP A 21 10.913 -17.147 -2.801 1.00 0.00 C ATOM 296 OD1 ASP A 21 11.574 -17.580 -1.834 1.00 0.00 O ATOM 297 OD2 ASP A 21 9.719 -17.453 -3.005 1.00 0.00 O ATOM 0 H ASP A 21 10.569 -13.965 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 21 12.987 -15.508 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.845 -15.776 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.290 -16.765 -4.394 1.00 0.00 H new ATOM 302 N VAL A 22 12.670 -13.206 -4.573 1.00 0.00 N ATOM 303 CA VAL A 22 13.399 -12.380 -5.533 1.00 0.00 C ATOM 304 C VAL A 22 14.071 -11.207 -4.827 1.00 0.00 C ATOM 305 O VAL A 22 13.772 -10.919 -3.668 1.00 0.00 O ATOM 306 CB VAL A 22 12.483 -11.838 -6.659 1.00 0.00 C ATOM 307 CG1 VAL A 22 12.764 -12.559 -7.968 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.010 -11.958 -6.288 1.00 0.00 C ATOM 0 H VAL A 22 11.739 -12.861 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 22 14.152 -13.022 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 22 12.707 -10.779 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.112 -12.165 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.805 -12.403 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.578 -13.626 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.397 -11.568 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.762 -13.006 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.816 -11.386 -5.381 1.00 0.00 H new ATOM 318 N SER A 23 14.983 -10.531 -5.526 1.00 0.00 N ATOM 319 CA SER A 23 15.690 -9.391 -4.947 1.00 0.00 C ATOM 320 C SER A 23 14.706 -8.417 -4.301 1.00 0.00 C ATOM 321 O SER A 23 14.681 -8.277 -3.078 1.00 0.00 O ATOM 322 CB SER A 23 16.527 -8.678 -6.008 1.00 0.00 C ATOM 323 OG SER A 23 17.880 -9.098 -5.959 1.00 0.00 O ATOM 0 H SER A 23 15.247 -10.751 -6.486 1.00 0.00 H new ATOM 0 HA SER A 23 16.361 -9.766 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.116 -8.881 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.472 -7.600 -5.855 1.00 0.00 H new ATOM 0 HG SER A 23 18.394 -8.628 -6.649 1.00 0.00 H new ATOM 329 N PRO A 24 13.860 -7.743 -5.104 1.00 0.00 N ATOM 330 CA PRO A 24 12.870 -6.811 -4.580 1.00 0.00 C ATOM 331 C PRO A 24 11.647 -7.543 -4.060 1.00 0.00 C ATOM 332 O PRO A 24 10.677 -7.738 -4.791 1.00 0.00 O ATOM 333 CB PRO A 24 12.496 -5.974 -5.795 1.00 0.00 C ATOM 334 CG PRO A 24 12.661 -6.907 -6.947 1.00 0.00 C ATOM 335 CD PRO A 24 13.783 -7.848 -6.576 1.00 0.00 C ATOM 0 HA PRO A 24 13.252 -6.224 -3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.473 -5.605 -5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.143 -5.102 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.739 -7.457 -7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.899 -6.360 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.570 -8.869 -6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.722 -7.557 -7.047 1.00 0.00 H new ATOM 343 N ALA A 25 11.699 -7.951 -2.798 1.00 0.00 N ATOM 344 CA ALA A 25 10.583 -8.668 -2.186 1.00 0.00 C ATOM 345 C ALA A 25 9.285 -7.954 -2.497 1.00 0.00 C ATOM 346 O ALA A 25 8.926 -6.988 -1.836 1.00 0.00 O ATOM 347 CB ALA A 25 10.770 -8.794 -0.688 1.00 0.00 C ATOM 0 H ALA A 25 12.496 -7.800 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 25 10.549 -9.674 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.924 -9.332 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.690 -9.340 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.830 -7.800 -0.244 1.00 0.00 H new ATOM 353 N GLU A 26 8.616 -8.423 -3.533 1.00 0.00 N ATOM 354 CA GLU A 26 7.373 -7.816 -3.994 1.00 0.00 C ATOM 355 C GLU A 26 6.205 -8.788 -3.917 1.00 0.00 C ATOM 356 O GLU A 26 6.394 -9.977 -3.681 1.00 0.00 O ATOM 357 CB GLU A 26 7.553 -7.311 -5.420 1.00 0.00 C ATOM 358 CG GLU A 26 8.108 -8.354 -6.377 1.00 0.00 C ATOM 359 CD GLU A 26 7.112 -9.456 -6.682 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.894 -9.187 -6.628 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.551 -10.589 -6.974 1.00 0.00 O ATOM 0 H GLU A 26 8.913 -9.231 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 26 7.138 -6.979 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.591 -6.963 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.222 -6.450 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.402 -7.868 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.009 -8.792 -5.948 1.00 0.00 H new ATOM 368 N LEU A 27 4.993 -8.274 -4.117 1.00 0.00 N ATOM 369 CA LEU A 27 3.801 -9.095 -4.063 1.00 0.00 C ATOM 370 C LEU A 27 3.041 -9.028 -5.376 1.00 0.00 C ATOM 371 O LEU A 27 3.012 -7.988 -6.034 1.00 0.00 O ATOM 372 CB LEU A 27 2.897 -8.649 -2.911 1.00 0.00 C ATOM 373 CG LEU A 27 2.409 -7.201 -2.993 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.236 -7.083 -3.955 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.021 -6.694 -1.612 1.00 0.00 C ATOM 0 H LEU A 27 4.818 -7.289 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 27 4.108 -10.127 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.029 -9.307 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.437 -8.782 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 27 3.224 -6.584 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.904 -6.046 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.546 -7.407 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.416 -7.712 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.676 -5.663 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.222 -7.316 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.887 -6.740 -0.951 1.00 0.00 H new ATOM 387 N THR A 28 2.437 -10.143 -5.763 1.00 0.00 N ATOM 388 CA THR A 28 1.697 -10.205 -6.995 1.00 0.00 C ATOM 389 C THR A 28 0.209 -10.341 -6.758 1.00 0.00 C ATOM 390 O THR A 28 -0.233 -10.918 -5.765 1.00 0.00 O ATOM 391 CB THR A 28 2.173 -11.357 -7.839 1.00 0.00 C ATOM 392 OG1 THR A 28 2.315 -12.537 -7.069 1.00 0.00 O ATOM 393 CG2 THR A 28 3.479 -11.081 -8.518 1.00 0.00 C ATOM 0 H THR A 28 2.451 -11.014 -5.233 1.00 0.00 H new ATOM 0 HA THR A 28 1.874 -9.265 -7.518 1.00 0.00 H new ATOM 0 HB THR A 28 1.405 -11.493 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.624 -13.268 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.771 -11.947 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.374 -10.213 -9.169 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.244 -10.881 -7.768 1.00 0.00 H new ATOM 401 N TRP A 29 -0.552 -9.795 -7.686 1.00 0.00 N ATOM 402 CA TRP A 29 -2.003 -9.836 -7.604 1.00 0.00 C ATOM 403 C TRP A 29 -2.617 -10.485 -8.841 1.00 0.00 C ATOM 404 O TRP A 29 -2.608 -9.905 -9.920 1.00 0.00 O ATOM 405 CB TRP A 29 -2.548 -8.423 -7.445 1.00 0.00 C ATOM 406 CG TRP A 29 -4.015 -8.396 -7.200 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.640 -8.535 -5.999 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.045 -8.229 -8.177 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.997 -8.461 -6.165 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.273 -8.272 -7.493 1.00 0.00 C ATOM 411 CE3 TRP A 29 -5.048 -8.044 -9.563 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.492 -8.137 -8.146 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -6.263 -7.911 -10.212 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.470 -7.957 -9.502 1.00 0.00 C ATOM 0 H TRP A 29 -0.190 -9.315 -8.510 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.273 -10.439 -6.737 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.037 -7.932 -6.617 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.324 -7.848 -8.344 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.139 -8.682 -5.054 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.690 -8.535 -5.420 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.121 -8.006 -10.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.424 -8.173 -7.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.281 -7.770 -11.283 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.402 -7.848 -10.036 1.00 0.00 H new ATOM 425 N ARG A 30 -3.159 -11.687 -8.681 1.00 0.00 N ATOM 426 CA ARG A 30 -3.779 -12.394 -9.800 1.00 0.00 C ATOM 427 C ARG A 30 -5.294 -12.458 -9.633 1.00 0.00 C ATOM 428 O ARG A 30 -5.795 -12.934 -8.615 1.00 0.00 O ATOM 429 CB ARG A 30 -3.209 -13.810 -9.924 1.00 0.00 C ATOM 430 CG ARG A 30 -1.755 -13.930 -9.490 1.00 0.00 C ATOM 431 CD ARG A 30 -0.969 -14.844 -10.416 1.00 0.00 C ATOM 432 NE ARG A 30 0.403 -15.043 -9.955 1.00 0.00 N ATOM 433 CZ ARG A 30 1.356 -15.614 -10.689 1.00 0.00 C ATOM 434 NH1 ARG A 30 1.091 -16.043 -11.916 1.00 0.00 N ATOM 435 NH2 ARG A 30 2.577 -15.756 -10.193 1.00 0.00 N ATOM 0 H ARG A 30 -3.183 -12.191 -7.795 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.553 -11.840 -10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.814 -14.489 -9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.297 -14.137 -10.960 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.296 -12.942 -9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.709 -14.316 -8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.472 -15.809 -10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.956 -14.419 -11.420 1.00 0.00 H new ATOM 0 HE ARG A 30 0.645 -14.726 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.153 -15.936 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.825 -16.480 -12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.786 -15.428 -9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.308 -16.193 -10.754 1.00 0.00 H new ATOM 449 N SER A 31 -6.021 -11.976 -10.639 1.00 0.00 N ATOM 450 CA SER A 31 -7.480 -11.981 -10.593 1.00 0.00 C ATOM 451 C SER A 31 -8.019 -13.401 -10.449 1.00 0.00 C ATOM 452 O SER A 31 -7.475 -14.344 -11.025 1.00 0.00 O ATOM 453 CB SER A 31 -8.059 -11.329 -11.849 1.00 0.00 C ATOM 454 OG SER A 31 -7.290 -11.652 -12.992 1.00 0.00 O ATOM 0 H SER A 31 -5.625 -11.579 -11.491 1.00 0.00 H new ATOM 0 HA SER A 31 -7.788 -11.405 -9.720 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.087 -11.660 -11.993 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.088 -10.247 -11.720 1.00 0.00 H new ATOM 0 HG SER A 31 -6.376 -11.319 -12.876 1.00 0.00 H new ATOM 460 N THR A 32 -9.092 -13.545 -9.678 1.00 0.00 N ATOM 461 CA THR A 32 -9.709 -14.849 -9.458 1.00 0.00 C ATOM 462 C THR A 32 -10.514 -15.287 -10.677 1.00 0.00 C ATOM 463 O THR A 32 -10.745 -16.478 -10.886 1.00 0.00 O ATOM 464 CB THR A 32 -10.610 -14.810 -8.221 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.755 -13.484 -7.743 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.093 -15.656 -7.078 1.00 0.00 C ATOM 0 H THR A 32 -9.553 -12.774 -9.194 1.00 0.00 H new ATOM 0 HA THR A 32 -8.912 -15.575 -9.295 1.00 0.00 H new ATOM 0 HB THR A 32 -11.567 -15.216 -8.550 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.336 -13.482 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.778 -15.584 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.020 -16.695 -7.398 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.108 -15.299 -6.778 1.00 0.00 H new ATOM 474 N ASP A 33 -10.935 -14.317 -11.478 1.00 0.00 N ATOM 475 CA ASP A 33 -11.711 -14.596 -12.677 1.00 0.00 C ATOM 476 C ASP A 33 -11.596 -13.450 -13.676 1.00 0.00 C ATOM 477 O ASP A 33 -12.556 -13.119 -14.371 1.00 0.00 O ATOM 478 CB ASP A 33 -13.179 -14.834 -12.319 1.00 0.00 C ATOM 479 CG ASP A 33 -13.461 -16.282 -11.968 1.00 0.00 C ATOM 480 OD1 ASP A 33 -13.133 -17.166 -12.787 1.00 0.00 O ATOM 481 OD2 ASP A 33 -14.009 -16.532 -10.874 1.00 0.00 O ATOM 0 H ASP A 33 -10.751 -13.327 -11.317 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.309 -15.498 -13.138 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.452 -14.199 -11.476 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.808 -14.537 -13.159 1.00 0.00 H new ATOM 486 N GLY A 34 -10.412 -12.850 -13.743 1.00 0.00 N ATOM 487 CA GLY A 34 -10.187 -11.747 -14.660 1.00 0.00 C ATOM 488 C GLY A 34 -9.062 -12.022 -15.642 1.00 0.00 C ATOM 489 O GLY A 34 -8.801 -11.215 -16.535 1.00 0.00 O ATOM 0 H GLY A 34 -9.603 -13.108 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.105 -11.546 -15.212 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.955 -10.848 -14.090 1.00 0.00 H new ATOM 493 N ASP A 35 -8.395 -13.163 -15.483 1.00 0.00 N ATOM 494 CA ASP A 35 -7.299 -13.540 -16.364 1.00 0.00 C ATOM 495 C ASP A 35 -6.217 -12.464 -16.395 1.00 0.00 C ATOM 496 O ASP A 35 -5.440 -12.379 -17.346 1.00 0.00 O ATOM 497 CB ASP A 35 -7.833 -13.794 -17.769 1.00 0.00 C ATOM 498 CG ASP A 35 -6.961 -14.751 -18.558 1.00 0.00 C ATOM 499 OD1 ASP A 35 -6.876 -15.935 -18.169 1.00 0.00 O ATOM 500 OD2 ASP A 35 -6.365 -14.317 -19.565 1.00 0.00 O ATOM 0 H ASP A 35 -8.597 -13.842 -14.749 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.847 -14.454 -15.978 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.843 -14.199 -17.703 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.904 -12.847 -18.304 1.00 0.00 H new ATOM 505 N LYS A 36 -6.170 -11.648 -15.347 1.00 0.00 N ATOM 506 CA LYS A 36 -5.179 -10.582 -15.251 1.00 0.00 C ATOM 507 C LYS A 36 -4.303 -10.761 -14.020 1.00 0.00 C ATOM 508 O LYS A 36 -4.636 -11.519 -13.109 1.00 0.00 O ATOM 509 CB LYS A 36 -5.858 -9.215 -15.206 1.00 0.00 C ATOM 510 CG LYS A 36 -6.936 -9.099 -14.144 1.00 0.00 C ATOM 511 CD LYS A 36 -7.610 -7.739 -14.192 1.00 0.00 C ATOM 512 CE LYS A 36 -6.622 -6.617 -13.914 1.00 0.00 C ATOM 513 NZ LYS A 36 -7.244 -5.508 -13.140 1.00 0.00 N ATOM 0 H LYS A 36 -6.807 -11.704 -14.552 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.549 -10.636 -16.139 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.102 -8.450 -15.028 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.298 -9.007 -16.181 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.680 -9.882 -14.290 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.498 -9.256 -13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.064 -7.591 -15.172 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.416 -7.705 -13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.770 -7.012 -13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.237 -6.230 -14.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.538 -4.764 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.041 -5.113 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.588 -5.871 -12.228 1.00 0.00 H new ATOM 527 N VAL A 37 -3.184 -10.052 -14.001 1.00 0.00 N ATOM 528 CA VAL A 37 -2.254 -10.121 -12.885 1.00 0.00 C ATOM 529 C VAL A 37 -1.584 -8.773 -12.654 1.00 0.00 C ATOM 530 O VAL A 37 -1.216 -8.081 -13.603 1.00 0.00 O ATOM 531 CB VAL A 37 -1.161 -11.192 -13.103 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.803 -11.859 -11.784 1.00 0.00 C ATOM 533 CG2 VAL A 37 -1.605 -12.230 -14.125 1.00 0.00 C ATOM 0 H VAL A 37 -2.898 -9.420 -14.749 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.841 -10.398 -12.010 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.274 -10.695 -13.495 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.032 -12.611 -11.954 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.431 -11.109 -11.086 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.689 -12.336 -11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.816 -12.970 -14.258 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.510 -12.724 -13.772 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.807 -11.740 -15.077 1.00 0.00 H new ATOM 543 N HIS A 38 -1.411 -8.414 -11.390 1.00 0.00 N ATOM 544 CA HIS A 38 -0.766 -7.160 -11.038 1.00 0.00 C ATOM 545 C HIS A 38 0.329 -7.406 -10.010 1.00 0.00 C ATOM 546 O HIS A 38 0.055 -7.714 -8.853 1.00 0.00 O ATOM 547 CB HIS A 38 -1.791 -6.167 -10.487 1.00 0.00 C ATOM 548 CG HIS A 38 -1.500 -4.744 -10.849 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.940 -3.672 -10.101 1.00 0.00 N ATOM 550 CD2 HIS A 38 -0.809 -4.217 -11.888 1.00 0.00 C ATOM 551 CE1 HIS A 38 -1.532 -2.548 -10.664 1.00 0.00 C ATOM 552 NE2 HIS A 38 -0.843 -2.852 -11.749 1.00 0.00 N ATOM 0 H HIS A 38 -1.709 -8.975 -10.592 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.319 -6.735 -11.937 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.780 -6.433 -10.860 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.825 -6.257 -9.401 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.322 -4.768 -12.679 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.729 -1.551 -10.299 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.407 -2.181 -12.381 1.00 0.00 H new ATOM 561 N THR A 39 1.569 -7.258 -10.446 1.00 0.00 N ATOM 562 CA THR A 39 2.722 -7.458 -9.577 1.00 0.00 C ATOM 563 C THR A 39 3.233 -6.116 -9.064 1.00 0.00 C ATOM 564 O THR A 39 3.834 -5.348 -9.815 1.00 0.00 O ATOM 565 CB THR A 39 3.840 -8.158 -10.352 1.00 0.00 C ATOM 566 OG1 THR A 39 3.328 -9.241 -11.108 1.00 0.00 O ATOM 567 CG2 THR A 39 4.945 -8.690 -9.466 1.00 0.00 C ATOM 0 H THR A 39 1.806 -6.998 -11.403 1.00 0.00 H new ATOM 0 HA THR A 39 2.419 -8.076 -8.732 1.00 0.00 H new ATOM 0 HB THR A 39 4.261 -7.391 -11.002 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.059 -9.673 -11.597 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.704 -9.174 -10.081 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.397 -7.866 -8.914 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.532 -9.414 -8.764 1.00 0.00 H new ATOM 575 N VAL A 40 3.003 -5.835 -7.788 1.00 0.00 N ATOM 576 CA VAL A 40 3.458 -4.582 -7.201 1.00 0.00 C ATOM 577 C VAL A 40 4.816 -4.768 -6.541 1.00 0.00 C ATOM 578 O VAL A 40 4.939 -5.494 -5.555 1.00 0.00 O ATOM 579 CB VAL A 40 2.462 -4.044 -6.159 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.869 -2.649 -5.709 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.048 -4.042 -6.722 1.00 0.00 C ATOM 0 H VAL A 40 2.508 -6.452 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 40 3.535 -3.857 -8.012 1.00 0.00 H new ATOM 0 HB VAL A 40 2.478 -4.702 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.155 -2.282 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.863 -2.686 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.881 -1.978 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.358 -3.658 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.010 -3.408 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.762 -5.059 -6.992 1.00 0.00 H new ATOM 591 N VAL A 41 5.839 -4.122 -7.091 1.00 0.00 N ATOM 592 CA VAL A 41 7.179 -4.248 -6.541 1.00 0.00 C ATOM 593 C VAL A 41 7.321 -3.483 -5.237 1.00 0.00 C ATOM 594 O VAL A 41 7.520 -2.269 -5.231 1.00 0.00 O ATOM 595 CB VAL A 41 8.272 -3.780 -7.517 1.00 0.00 C ATOM 596 CG1 VAL A 41 9.654 -4.143 -6.976 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.054 -4.387 -8.895 1.00 0.00 C ATOM 0 H VAL A 41 5.766 -3.514 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 41 7.319 -5.313 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 41 8.214 -2.696 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.419 -3.806 -7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.806 -3.658 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.725 -5.224 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.837 -4.044 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.087 -5.474 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.082 -4.078 -9.279 1.00 0.00 H new ATOM 607 N LEU A 42 7.244 -4.215 -4.134 1.00 0.00 N ATOM 608 CA LEU A 42 7.387 -3.632 -2.806 1.00 0.00 C ATOM 609 C LEU A 42 8.632 -2.752 -2.744 1.00 0.00 C ATOM 610 O LEU A 42 8.709 -1.817 -1.947 1.00 0.00 O ATOM 611 CB LEU A 42 7.506 -4.747 -1.772 1.00 0.00 C ATOM 612 CG LEU A 42 6.190 -5.231 -1.154 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.272 -5.816 -2.218 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.464 -6.261 -0.066 1.00 0.00 C ATOM 0 H LEU A 42 7.082 -5.222 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 42 6.510 -3.021 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.000 -5.599 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.157 -4.403 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 42 5.688 -4.373 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.345 -6.152 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.048 -5.054 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.764 -6.661 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.520 -6.596 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.989 -7.114 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.079 -5.812 0.714 1.00 0.00 H new ATOM 626 N SER A 43 9.600 -3.061 -3.603 1.00 0.00 N ATOM 627 CA SER A 43 10.840 -2.302 -3.662 1.00 0.00 C ATOM 628 C SER A 43 10.542 -0.888 -4.108 1.00 0.00 C ATOM 629 O SER A 43 10.928 0.084 -3.460 1.00 0.00 O ATOM 630 CB SER A 43 11.836 -2.965 -4.617 1.00 0.00 C ATOM 631 OG SER A 43 12.921 -3.536 -3.907 1.00 0.00 O ATOM 0 H SER A 43 9.547 -3.833 -4.267 1.00 0.00 H new ATOM 0 HA SER A 43 11.290 -2.280 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.330 -3.737 -5.196 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.210 -2.227 -5.327 1.00 0.00 H new ATOM 0 HG SER A 43 13.724 -3.518 -4.468 1.00 0.00 H new ATOM 637 N THR A 44 9.816 -0.791 -5.206 1.00 0.00 N ATOM 638 CA THR A 44 9.413 0.484 -5.739 1.00 0.00 C ATOM 639 C THR A 44 8.495 1.181 -4.744 1.00 0.00 C ATOM 640 O THR A 44 8.372 2.405 -4.746 1.00 0.00 O ATOM 641 CB THR A 44 8.700 0.283 -7.072 1.00 0.00 C ATOM 642 OG1 THR A 44 7.435 -0.324 -6.880 1.00 0.00 O ATOM 643 CG2 THR A 44 9.479 -0.574 -8.047 1.00 0.00 C ATOM 0 H THR A 44 9.493 -1.593 -5.747 1.00 0.00 H new ATOM 0 HA THR A 44 10.292 1.107 -5.905 1.00 0.00 H new ATOM 0 HB THR A 44 8.597 1.282 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.514 -1.042 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.914 -0.676 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.440 -0.104 -8.257 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.645 -1.560 -7.613 1.00 0.00 H new ATOM 651 N ILE A 45 7.860 0.385 -3.879 1.00 0.00 N ATOM 652 CA ILE A 45 6.964 0.932 -2.866 1.00 0.00 C ATOM 653 C ILE A 45 7.755 1.472 -1.680 1.00 0.00 C ATOM 654 O ILE A 45 8.707 0.843 -1.217 1.00 0.00 O ATOM 655 CB ILE A 45 5.961 -0.123 -2.359 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.218 -0.764 -3.530 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.974 0.509 -1.387 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.337 -1.922 -3.117 1.00 0.00 C ATOM 0 H ILE A 45 7.951 -0.631 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 45 6.410 1.742 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 45 6.515 -0.902 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.606 -0.007 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.944 -1.113 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.272 -0.248 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.515 0.922 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.427 1.306 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.839 -2.331 -3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.948 -2.696 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.589 -1.574 -2.405 1.00 0.00 H new ATOM 670 N ASP A 46 7.357 2.642 -1.192 1.00 0.00 N ATOM 671 CA ASP A 46 8.031 3.267 -0.058 1.00 0.00 C ATOM 672 C ASP A 46 7.100 3.368 1.147 1.00 0.00 C ATOM 673 O ASP A 46 7.552 3.371 2.292 1.00 0.00 O ATOM 674 CB ASP A 46 8.538 4.658 -0.445 1.00 0.00 C ATOM 675 CG ASP A 46 9.755 5.073 0.357 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.843 4.508 0.120 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.621 5.964 1.222 1.00 0.00 O ATOM 0 H ASP A 46 6.572 3.177 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 46 8.879 2.640 0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.785 4.669 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.742 5.387 -0.295 1.00 0.00 H new ATOM 682 N LYS A 47 5.801 3.447 0.883 1.00 0.00 N ATOM 683 CA LYS A 47 4.808 3.544 1.945 1.00 0.00 C ATOM 684 C LYS A 47 3.900 2.318 1.947 1.00 0.00 C ATOM 685 O LYS A 47 3.687 1.686 0.913 1.00 0.00 O ATOM 686 CB LYS A 47 3.972 4.815 1.780 1.00 0.00 C ATOM 687 CG LYS A 47 3.976 5.708 3.010 1.00 0.00 C ATOM 688 CD LYS A 47 5.322 6.389 3.201 1.00 0.00 C ATOM 689 CE LYS A 47 5.532 7.501 2.186 1.00 0.00 C ATOM 690 NZ LYS A 47 6.371 7.055 1.039 1.00 0.00 N ATOM 0 H LYS A 47 5.411 3.446 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 47 5.333 3.589 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.350 5.381 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.944 4.537 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.196 6.463 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.739 5.114 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.384 6.799 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.120 5.653 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.565 7.843 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.007 8.353 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.015 7.823 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.926 6.221 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.758 6.809 0.236 1.00 0.00 H new ATOM 704 N LEU A 48 3.367 1.997 3.116 1.00 0.00 N ATOM 705 CA LEU A 48 2.473 0.856 3.272 1.00 0.00 C ATOM 706 C LEU A 48 1.304 1.235 4.169 1.00 0.00 C ATOM 707 O LEU A 48 1.494 1.569 5.338 1.00 0.00 O ATOM 708 CB LEU A 48 3.228 -0.334 3.864 1.00 0.00 C ATOM 709 CG LEU A 48 2.371 -1.567 4.149 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.894 -2.198 2.850 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.154 -2.572 4.977 1.00 0.00 C ATOM 0 H LEU A 48 3.539 2.514 3.978 1.00 0.00 H new ATOM 0 HA LEU A 48 2.091 0.571 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.026 -0.616 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.703 -0.018 4.793 1.00 0.00 H new ATOM 0 HG LEU A 48 1.495 -1.257 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.285 -3.074 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.299 -1.476 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.755 -2.497 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.532 -3.445 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.046 -2.877 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.446 -2.115 5.923 1.00 0.00 H new ATOM 723 N GLN A 49 0.098 1.212 3.613 1.00 0.00 N ATOM 724 CA GLN A 49 -1.086 1.589 4.372 1.00 0.00 C ATOM 725 C GLN A 49 -2.068 0.436 4.543 1.00 0.00 C ATOM 726 O GLN A 49 -2.266 -0.378 3.642 1.00 0.00 O ATOM 727 CB GLN A 49 -1.783 2.767 3.691 1.00 0.00 C ATOM 728 CG GLN A 49 -0.853 3.933 3.395 1.00 0.00 C ATOM 729 CD GLN A 49 -0.857 4.332 1.934 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.577 5.245 1.529 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.045 3.649 1.134 1.00 0.00 N ATOM 0 H GLN A 49 -0.084 0.939 2.647 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.751 1.875 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.231 2.424 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.597 3.114 4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.148 4.789 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.162 3.667 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.534 2.900 1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.001 3.874 0.140 1.00 0.00 H new ATOM 740 N ALA A 50 -2.691 0.404 5.716 1.00 0.00 N ATOM 741 CA ALA A 50 -3.682 -0.604 6.061 1.00 0.00 C ATOM 742 C ALA A 50 -4.717 0.001 6.997 1.00 0.00 C ATOM 743 O ALA A 50 -4.394 0.863 7.809 1.00 0.00 O ATOM 744 CB ALA A 50 -3.027 -1.806 6.714 1.00 0.00 C ATOM 0 H ALA A 50 -2.520 1.082 6.458 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.171 -0.941 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.789 -2.545 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.305 -2.246 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.516 -1.492 7.624 1.00 0.00 H new ATOM 750 N THR A 51 -5.959 -0.434 6.877 1.00 0.00 N ATOM 751 CA THR A 51 -7.021 0.101 7.716 1.00 0.00 C ATOM 752 C THR A 51 -6.957 -0.474 9.133 1.00 0.00 C ATOM 753 O THR A 51 -7.140 -1.673 9.343 1.00 0.00 O ATOM 754 CB THR A 51 -8.374 -0.165 7.069 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.745 -1.522 7.215 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.383 0.171 5.591 1.00 0.00 C ATOM 0 H THR A 51 -6.257 -1.149 6.214 1.00 0.00 H new ATOM 0 HA THR A 51 -6.884 1.179 7.805 1.00 0.00 H new ATOM 0 HB THR A 51 -9.086 0.481 7.582 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.442 -1.599 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.370 -0.036 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.147 1.227 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.638 -0.436 5.075 1.00 0.00 H new ATOM 764 N PRO A 52 -6.673 0.397 10.122 1.00 0.00 N ATOM 765 CA PRO A 52 -6.551 0.032 11.529 1.00 0.00 C ATOM 766 C PRO A 52 -7.856 0.191 12.294 1.00 0.00 C ATOM 767 O PRO A 52 -8.809 0.790 11.795 1.00 0.00 O ATOM 768 CB PRO A 52 -5.524 1.038 12.027 1.00 0.00 C ATOM 769 CG PRO A 52 -5.841 2.281 11.267 1.00 0.00 C ATOM 770 CD PRO A 52 -6.425 1.841 9.942 1.00 0.00 C ATOM 0 HA PRO A 52 -6.277 -1.014 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.608 1.195 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.506 0.699 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.550 2.901 11.816 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.944 2.881 11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.345 2.378 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.734 2.028 9.120 1.00 0.00 H new ATOM 778 N ALA A 53 -7.889 -0.351 13.511 1.00 0.00 N ATOM 779 CA ALA A 53 -9.069 -0.277 14.377 1.00 0.00 C ATOM 780 C ALA A 53 -9.723 1.115 14.380 1.00 0.00 C ATOM 781 O ALA A 53 -10.832 1.275 14.888 1.00 0.00 O ATOM 782 CB ALA A 53 -8.697 -0.680 15.795 1.00 0.00 C ATOM 0 H ALA A 53 -7.103 -0.852 13.925 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.805 -0.972 13.972 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.579 -0.623 16.433 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.315 -1.701 15.795 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.930 -0.006 16.175 1.00 0.00 H new ATOM 788 N SER A 54 -9.051 2.115 13.804 1.00 0.00 N ATOM 789 CA SER A 54 -9.601 3.466 13.744 1.00 0.00 C ATOM 790 C SER A 54 -10.910 3.454 12.981 1.00 0.00 C ATOM 791 O SER A 54 -11.819 4.240 13.248 1.00 0.00 O ATOM 792 CB SER A 54 -8.623 4.373 13.014 1.00 0.00 C ATOM 793 OG SER A 54 -7.354 4.376 13.645 1.00 0.00 O ATOM 0 H SER A 54 -8.131 2.013 13.376 1.00 0.00 H new ATOM 0 HA SER A 54 -9.769 3.828 14.758 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.517 4.041 11.981 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.019 5.388 12.983 1.00 0.00 H new ATOM 0 HG SER A 54 -6.745 4.966 13.153 1.00 0.00 H new ATOM 799 N SER A 55 -10.988 2.536 12.041 1.00 0.00 N ATOM 800 CA SER A 55 -12.168 2.367 11.222 1.00 0.00 C ATOM 801 C SER A 55 -12.481 0.884 11.053 1.00 0.00 C ATOM 802 O SER A 55 -11.621 0.033 11.280 1.00 0.00 O ATOM 803 CB SER A 55 -11.937 3.012 9.865 1.00 0.00 C ATOM 804 OG SER A 55 -12.029 4.423 9.949 1.00 0.00 O ATOM 0 H SER A 55 -10.233 1.885 11.823 1.00 0.00 H new ATOM 0 HA SER A 55 -13.017 2.847 11.709 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.954 2.730 9.488 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.671 2.638 9.151 1.00 0.00 H new ATOM 0 HG SER A 55 -12.631 4.754 9.250 1.00 0.00 H new ATOM 810 N GLU A 56 -13.707 0.576 10.649 1.00 0.00 N ATOM 811 CA GLU A 56 -14.113 -0.809 10.448 1.00 0.00 C ATOM 812 C GLU A 56 -13.936 -1.214 8.988 1.00 0.00 C ATOM 813 O GLU A 56 -14.647 -2.082 8.482 1.00 0.00 O ATOM 814 CB GLU A 56 -15.571 -1.003 10.870 1.00 0.00 C ATOM 815 CG GLU A 56 -15.840 -0.626 12.318 1.00 0.00 C ATOM 816 CD GLU A 56 -16.786 -1.591 13.005 1.00 0.00 C ATOM 817 OE1 GLU A 56 -16.355 -2.721 13.320 1.00 0.00 O ATOM 818 OE2 GLU A 56 -17.956 -1.218 13.229 1.00 0.00 O ATOM 0 H GLU A 56 -14.435 1.264 10.455 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.478 -1.444 11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.211 -0.404 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.849 -2.046 10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.897 -0.597 12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.261 0.379 12.356 1.00 0.00 H new ATOM 825 N LYS A 57 -12.988 -0.568 8.313 1.00 0.00 N ATOM 826 CA LYS A 57 -12.723 -0.845 6.914 1.00 0.00 C ATOM 827 C LYS A 57 -11.609 -1.875 6.762 1.00 0.00 C ATOM 828 O LYS A 57 -11.031 -2.333 7.747 1.00 0.00 O ATOM 829 CB LYS A 57 -12.350 0.445 6.166 1.00 0.00 C ATOM 830 CG LYS A 57 -12.959 1.717 6.748 1.00 0.00 C ATOM 831 CD LYS A 57 -14.421 1.536 7.142 1.00 0.00 C ATOM 832 CE LYS A 57 -15.121 2.874 7.324 1.00 0.00 C ATOM 833 NZ LYS A 57 -15.886 2.930 8.600 1.00 0.00 N ATOM 0 H LYS A 57 -12.391 0.153 8.719 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.634 -1.254 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.265 0.546 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.664 0.350 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.385 2.024 7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.880 2.522 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.936 0.956 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.481 0.964 8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.382 3.676 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.797 3.047 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.751 3.490 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.141 1.966 8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.301 3.373 9.337 1.00 0.00 H new ATOM 847 N MET A 58 -11.314 -2.231 5.517 1.00 0.00 N ATOM 848 CA MET A 58 -10.270 -3.204 5.220 1.00 0.00 C ATOM 849 C MET A 58 -9.703 -2.959 3.829 1.00 0.00 C ATOM 850 O MET A 58 -10.327 -3.303 2.825 1.00 0.00 O ATOM 851 CB MET A 58 -10.824 -4.625 5.317 1.00 0.00 C ATOM 852 CG MET A 58 -12.175 -4.794 4.647 1.00 0.00 C ATOM 853 SD MET A 58 -13.547 -4.487 5.774 1.00 0.00 S ATOM 854 CE MET A 58 -14.886 -5.269 4.883 1.00 0.00 C ATOM 0 H MET A 58 -11.786 -1.858 4.693 1.00 0.00 H new ATOM 0 HA MET A 58 -9.471 -3.089 5.952 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.113 -5.316 4.863 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.911 -4.902 6.368 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.245 -4.111 3.800 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.255 -5.805 4.249 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.837 -4.987 5.335 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.869 -4.945 3.842 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.770 -6.352 4.928 1.00 0.00 H new ATOM 864 N MET A 59 -8.524 -2.350 3.772 1.00 0.00 N ATOM 865 CA MET A 59 -7.892 -2.051 2.495 1.00 0.00 C ATOM 866 C MET A 59 -6.416 -1.699 2.669 1.00 0.00 C ATOM 867 O MET A 59 -6.022 -1.101 3.670 1.00 0.00 O ATOM 868 CB MET A 59 -8.639 -0.902 1.808 1.00 0.00 C ATOM 869 CG MET A 59 -8.378 0.463 2.430 1.00 0.00 C ATOM 870 SD MET A 59 -9.875 1.240 3.074 1.00 0.00 S ATOM 871 CE MET A 59 -9.194 2.717 3.836 1.00 0.00 C ATOM 0 H MET A 59 -7.990 -2.056 4.590 1.00 0.00 H new ATOM 0 HA MET A 59 -7.944 -2.943 1.870 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.352 -0.872 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.709 -1.107 1.841 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.654 0.356 3.238 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.928 1.117 1.683 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.517 2.772 4.876 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.105 2.678 3.796 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.546 3.598 3.300 1.00 0.00 H new ATOM 881 N LEU A 60 -5.606 -2.071 1.681 1.00 0.00 N ATOM 882 CA LEU A 60 -4.175 -1.794 1.714 1.00 0.00 C ATOM 883 C LEU A 60 -3.760 -0.926 0.525 1.00 0.00 C ATOM 884 O LEU A 60 -4.062 -1.248 -0.622 1.00 0.00 O ATOM 885 CB LEU A 60 -3.375 -3.103 1.700 1.00 0.00 C ATOM 886 CG LEU A 60 -3.635 -4.047 2.877 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.712 -5.258 2.808 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.454 -3.316 4.198 1.00 0.00 C ATOM 0 H LEU A 60 -5.919 -2.566 0.846 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.960 -1.252 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.597 -3.634 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.313 -2.859 1.680 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.666 -4.396 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.912 -5.917 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.889 -5.798 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.674 -4.927 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.643 -4.003 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.434 -2.937 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.155 -2.483 4.252 1.00 0.00 H new ATOM 900 N ARG A 61 -3.054 0.166 0.807 1.00 0.00 N ATOM 901 CA ARG A 61 -2.583 1.071 -0.241 1.00 0.00 C ATOM 902 C ARG A 61 -1.057 1.126 -0.230 1.00 0.00 C ATOM 903 O ARG A 61 -0.438 1.114 0.834 1.00 0.00 O ATOM 904 CB ARG A 61 -3.159 2.478 -0.041 1.00 0.00 C ATOM 905 CG ARG A 61 -2.525 3.535 -0.939 1.00 0.00 C ATOM 906 CD ARG A 61 -3.567 4.455 -1.553 1.00 0.00 C ATOM 907 NE ARG A 61 -2.959 5.585 -2.251 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.498 6.674 -1.637 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.564 6.777 -0.316 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.969 7.661 -2.347 1.00 0.00 N ATOM 0 H ARG A 61 -2.795 0.447 1.753 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.923 0.693 -1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.232 2.451 -0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.025 2.771 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.815 4.126 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.960 3.046 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.184 3.889 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.229 4.826 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.883 5.538 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.969 6.020 0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.210 7.613 0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.915 7.586 -3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.616 8.495 -1.877 1.00 0.00 H new ATOM 924 N LEU A 62 -0.453 1.175 -1.412 1.00 0.00 N ATOM 925 CA LEU A 62 1.002 1.221 -1.518 1.00 0.00 C ATOM 926 C LEU A 62 1.457 2.368 -2.413 1.00 0.00 C ATOM 927 O LEU A 62 0.937 2.555 -3.513 1.00 0.00 O ATOM 928 CB LEU A 62 1.539 -0.106 -2.066 1.00 0.00 C ATOM 929 CG LEU A 62 0.817 -1.363 -1.571 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.644 -1.330 -0.059 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.531 -1.511 -2.263 1.00 0.00 C ATOM 0 H LEU A 62 -0.944 1.184 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 62 1.401 1.387 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.482 -0.080 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.594 -0.187 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 62 1.430 -2.229 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.129 -2.233 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.623 -1.277 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.056 -0.456 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.030 -2.409 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.149 -0.640 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.381 -1.590 -3.340 1.00 0.00 H new ATOM 943 N ILE A 63 2.437 3.130 -1.936 1.00 0.00 N ATOM 944 CA ILE A 63 2.970 4.253 -2.698 1.00 0.00 C ATOM 945 C ILE A 63 4.199 3.825 -3.498 1.00 0.00 C ATOM 946 O ILE A 63 5.280 3.640 -2.941 1.00 0.00 O ATOM 947 CB ILE A 63 3.329 5.438 -1.773 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.069 6.227 -1.421 1.00 0.00 C ATOM 949 CG2 ILE A 63 4.362 6.356 -2.412 1.00 0.00 C ATOM 950 CD1 ILE A 63 1.715 6.151 0.041 1.00 0.00 C ATOM 0 H ILE A 63 2.877 2.990 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 63 2.194 4.581 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 63 3.767 5.030 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.211 7.271 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.234 5.849 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.589 7.177 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.272 5.792 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.965 6.757 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.811 6.731 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.543 5.112 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.535 6.555 0.635 1.00 0.00 H new ATOM 962 N GLY A 64 4.021 3.663 -4.805 1.00 0.00 N ATOM 963 CA GLY A 64 5.121 3.251 -5.657 1.00 0.00 C ATOM 964 C GLY A 64 5.951 4.420 -6.152 1.00 0.00 C ATOM 965 O GLY A 64 5.415 5.477 -6.483 1.00 0.00 O ATOM 0 H GLY A 64 3.135 3.810 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.763 2.563 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.726 2.703 -6.513 1.00 0.00 H new ATOM 969 N LYS A 65 7.265 4.223 -6.207 1.00 0.00 N ATOM 970 CA LYS A 65 8.181 5.260 -6.669 1.00 0.00 C ATOM 971 C LYS A 65 8.143 6.480 -5.754 1.00 0.00 C ATOM 972 O LYS A 65 7.078 6.897 -5.300 1.00 0.00 O ATOM 973 CB LYS A 65 7.840 5.673 -8.102 1.00 0.00 C ATOM 974 CG LYS A 65 8.591 4.880 -9.159 1.00 0.00 C ATOM 975 CD LYS A 65 8.197 3.413 -9.141 1.00 0.00 C ATOM 976 CE LYS A 65 9.273 2.539 -9.763 1.00 0.00 C ATOM 977 NZ LYS A 65 8.704 1.308 -10.378 1.00 0.00 N ATOM 0 H LYS A 65 7.720 3.351 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 65 9.189 4.847 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.769 5.551 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.062 6.733 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.387 5.300 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.664 4.971 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.018 3.096 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.261 3.280 -9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.809 3.109 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.000 2.261 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.445 0.582 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.928 0.951 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.341 1.530 -11.327 1.00 0.00 H new ATOM 991 N VAL A 66 9.317 7.048 -5.494 1.00 0.00 N ATOM 992 CA VAL A 66 9.435 8.224 -4.638 1.00 0.00 C ATOM 993 C VAL A 66 10.818 8.853 -4.768 1.00 0.00 C ATOM 994 O VAL A 66 11.832 8.158 -4.716 1.00 0.00 O ATOM 995 CB VAL A 66 9.180 7.881 -3.156 1.00 0.00 C ATOM 996 CG1 VAL A 66 7.690 7.880 -2.852 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.805 6.540 -2.797 1.00 0.00 C ATOM 0 H VAL A 66 10.205 6.710 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 66 8.675 8.932 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 66 9.651 8.650 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.533 7.636 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.275 8.866 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.192 7.137 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.613 6.318 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.370 5.758 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.881 6.583 -2.968 1.00 0.00 H new ATOM 1007 N ASP A 67 10.853 10.170 -4.942 1.00 0.00 N ATOM 1008 CA ASP A 67 12.116 10.887 -5.083 1.00 0.00 C ATOM 1009 C ASP A 67 12.184 12.075 -4.129 1.00 0.00 C ATOM 1010 O ASP A 67 13.201 12.296 -3.473 1.00 0.00 O ATOM 1011 CB ASP A 67 12.295 11.366 -6.525 1.00 0.00 C ATOM 1012 CG ASP A 67 12.961 10.324 -7.402 1.00 0.00 C ATOM 1013 OD1 ASP A 67 12.516 9.157 -7.380 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.927 10.675 -8.112 1.00 0.00 O ATOM 0 H ASP A 67 10.024 10.762 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 67 12.923 10.199 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.321 11.621 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.893 12.277 -6.531 1.00 0.00 H new ATOM 1019 N GLU A 68 11.095 12.841 -4.065 1.00 0.00 N ATOM 1020 CA GLU A 68 11.012 14.020 -3.201 1.00 0.00 C ATOM 1021 C GLU A 68 12.302 14.833 -3.254 1.00 0.00 C ATOM 1022 O GLU A 68 12.682 15.486 -2.282 1.00 0.00 O ATOM 1023 CB GLU A 68 10.692 13.623 -1.754 1.00 0.00 C ATOM 1024 CG GLU A 68 11.555 12.498 -1.203 1.00 0.00 C ATOM 1025 CD GLU A 68 12.957 12.954 -0.847 1.00 0.00 C ATOM 1026 OE1 GLU A 68 13.099 14.068 -0.302 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.913 12.195 -1.111 1.00 0.00 O ATOM 0 H GLU A 68 10.249 12.664 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 68 10.199 14.643 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.809 14.499 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.646 13.323 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.077 12.081 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.614 11.697 -1.940 1.00 0.00 H new ATOM 1034 N SER A 69 12.965 14.787 -4.403 1.00 0.00 N ATOM 1035 CA SER A 69 14.207 15.513 -4.604 1.00 0.00 C ATOM 1036 C SER A 69 14.117 16.401 -5.836 1.00 0.00 C ATOM 1037 O SER A 69 14.523 17.563 -5.816 1.00 0.00 O ATOM 1038 CB SER A 69 15.382 14.543 -4.738 1.00 0.00 C ATOM 1039 OG SER A 69 15.950 14.252 -3.473 1.00 0.00 O ATOM 0 H SER A 69 12.658 14.249 -5.214 1.00 0.00 H new ATOM 0 HA SER A 69 14.375 16.145 -3.732 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.044 13.620 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.141 14.974 -5.390 1.00 0.00 H new ATOM 0 HG SER A 69 16.698 13.629 -3.586 1.00 0.00 H new ATOM 1045 N LYS A 70 13.573 15.840 -6.903 1.00 0.00 N ATOM 1046 CA LYS A 70 13.407 16.559 -8.154 1.00 0.00 C ATOM 1047 C LYS A 70 12.075 17.310 -8.183 1.00 0.00 C ATOM 1048 O LYS A 70 11.680 17.849 -9.217 1.00 0.00 O ATOM 1049 CB LYS A 70 13.478 15.589 -9.333 1.00 0.00 C ATOM 1050 CG LYS A 70 12.362 14.558 -9.333 1.00 0.00 C ATOM 1051 CD LYS A 70 12.908 13.141 -9.250 1.00 0.00 C ATOM 1052 CE LYS A 70 13.250 12.595 -10.627 1.00 0.00 C ATOM 1053 NZ LYS A 70 12.031 12.327 -11.438 1.00 0.00 N ATOM 0 H LYS A 70 13.236 14.878 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 70 14.215 17.286 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.439 16.156 -10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.439 15.074 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.696 14.742 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.766 14.666 -10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.798 13.129 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.172 12.494 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.886 13.308 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.824 11.675 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.259 11.649 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.289 11.929 -10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.693 13.215 -11.861 1.00 0.00 H new ATOM 1067 N LYS A 71 11.385 17.336 -7.043 1.00 0.00 N ATOM 1068 CA LYS A 71 10.096 18.012 -6.932 1.00 0.00 C ATOM 1069 C LYS A 71 10.144 19.416 -7.528 1.00 0.00 C ATOM 1070 O LYS A 71 11.200 19.896 -7.939 1.00 0.00 O ATOM 1071 CB LYS A 71 9.672 18.102 -5.467 1.00 0.00 C ATOM 1072 CG LYS A 71 10.590 18.968 -4.619 1.00 0.00 C ATOM 1073 CD LYS A 71 11.150 18.197 -3.434 1.00 0.00 C ATOM 1074 CE LYS A 71 11.812 19.125 -2.427 1.00 0.00 C ATOM 1075 NZ LYS A 71 10.930 19.397 -1.259 1.00 0.00 N ATOM 0 H LYS A 71 11.701 16.894 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 71 9.370 17.424 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.659 18.501 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.641 17.098 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.411 19.339 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.041 19.839 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.347 17.643 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.875 17.464 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.745 18.679 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.069 20.065 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.296 20.214 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.967 19.604 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.910 18.563 -0.637 1.00 0.00 H new ATOM 1089 N ARG A 72 8.989 20.071 -7.553 1.00 0.00 N ATOM 1090 CA ARG A 72 8.886 21.426 -8.079 1.00 0.00 C ATOM 1091 C ARG A 72 8.620 22.412 -6.948 1.00 0.00 C ATOM 1092 O ARG A 72 8.004 22.063 -5.941 1.00 0.00 O ATOM 1093 CB ARG A 72 7.770 21.513 -9.125 1.00 0.00 C ATOM 1094 CG ARG A 72 6.546 20.676 -8.787 1.00 0.00 C ATOM 1095 CD ARG A 72 5.965 21.056 -7.435 1.00 0.00 C ATOM 1096 NE ARG A 72 4.553 20.695 -7.325 1.00 0.00 N ATOM 1097 CZ ARG A 72 4.114 19.443 -7.222 1.00 0.00 C ATOM 1098 NH1 ARG A 72 4.972 18.430 -7.216 1.00 0.00 N ATOM 1099 NH2 ARG A 72 2.814 19.203 -7.125 1.00 0.00 N ATOM 0 H ARG A 72 8.108 19.684 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 72 9.832 21.683 -8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.468 22.554 -9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.163 21.192 -10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.789 20.809 -9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.816 19.620 -8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.529 20.559 -6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.078 22.129 -7.280 1.00 0.00 H new ATOM 0 HE ARG A 72 3.864 21.447 -7.327 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.973 18.609 -7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.630 17.472 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.151 19.978 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.477 18.244 -7.046 1.00 0.00 H new ATOM 1113 N LYS A 73 9.089 23.643 -7.112 1.00 0.00 N ATOM 1114 CA LYS A 73 8.898 24.669 -6.095 1.00 0.00 C ATOM 1115 C LYS A 73 7.817 25.659 -6.514 1.00 0.00 C ATOM 1116 O LYS A 73 7.484 25.768 -7.694 1.00 0.00 O ATOM 1117 CB LYS A 73 10.210 25.410 -5.832 1.00 0.00 C ATOM 1118 CG LYS A 73 11.152 24.668 -4.898 1.00 0.00 C ATOM 1119 CD LYS A 73 11.877 23.541 -5.615 1.00 0.00 C ATOM 1120 CE LYS A 73 13.289 23.947 -6.007 1.00 0.00 C ATOM 1121 NZ LYS A 73 13.764 23.213 -7.212 1.00 0.00 N ATOM 0 H LYS A 73 9.603 23.954 -7.937 1.00 0.00 H new ATOM 0 HA LYS A 73 8.577 24.176 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.716 25.584 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.986 26.388 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.881 25.366 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.588 24.262 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.916 22.663 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.318 23.257 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.318 25.019 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.966 23.755 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.730 23.518 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.761 22.191 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.133 23.416 -8.013 1.00 0.00 H new ATOM 1135 N ASP A 74 7.273 26.380 -5.538 1.00 0.00 N ATOM 1136 CA ASP A 74 6.234 27.359 -5.799 1.00 0.00 C ATOM 1137 C ASP A 74 6.763 28.778 -5.614 1.00 0.00 C ATOM 1138 O ASP A 74 7.898 28.976 -5.181 1.00 0.00 O ATOM 1139 CB ASP A 74 5.036 27.123 -4.877 1.00 0.00 C ATOM 1140 CG ASP A 74 4.041 26.141 -5.462 1.00 0.00 C ATOM 1141 OD1 ASP A 74 4.238 24.920 -5.285 1.00 0.00 O ATOM 1142 OD2 ASP A 74 3.064 26.592 -6.096 1.00 0.00 O ATOM 0 H ASP A 74 7.539 26.301 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 74 5.914 27.243 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.389 26.749 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.536 28.072 -4.686 1.00 0.00 H new ATOM 1147 N ASN A 75 5.933 29.762 -5.946 1.00 0.00 N ATOM 1148 CA ASN A 75 6.319 31.162 -5.816 1.00 0.00 C ATOM 1149 C ASN A 75 6.596 31.518 -4.361 1.00 0.00 C ATOM 1150 O ASN A 75 7.392 32.411 -4.068 1.00 0.00 O ATOM 1151 CB ASN A 75 5.223 32.070 -6.376 1.00 0.00 C ATOM 1152 CG ASN A 75 5.786 33.288 -7.082 1.00 0.00 C ATOM 1153 OD1 ASN A 75 6.317 33.188 -8.188 1.00 0.00 O ATOM 1154 ND2 ASN A 75 5.673 34.447 -6.443 1.00 0.00 N ATOM 0 H ASN A 75 4.990 29.616 -6.307 1.00 0.00 H new ATOM 0 HA ASN A 75 7.234 31.314 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.606 31.503 -7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.572 32.393 -5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.034 35.301 -6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.225 34.483 -5.527 1.00 0.00 H new ATOM 1161 N GLU A 76 5.933 30.814 -3.455 1.00 0.00 N ATOM 1162 CA GLU A 76 6.100 31.047 -2.030 1.00 0.00 C ATOM 1163 C GLU A 76 7.242 30.207 -1.458 1.00 0.00 C ATOM 1164 O GLU A 76 7.413 30.127 -0.242 1.00 0.00 O ATOM 1165 CB GLU A 76 4.800 30.732 -1.286 1.00 0.00 C ATOM 1166 CG GLU A 76 3.861 31.922 -1.173 1.00 0.00 C ATOM 1167 CD GLU A 76 2.527 31.554 -0.552 1.00 0.00 C ATOM 1168 OE1 GLU A 76 2.527 30.857 0.484 1.00 0.00 O ATOM 1169 OE2 GLU A 76 1.483 31.963 -1.102 1.00 0.00 O ATOM 0 H GLU A 76 5.271 30.073 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 76 6.350 32.099 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.285 29.920 -1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.041 30.374 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.335 32.699 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.693 32.343 -2.164 1.00 0.00 H new ATOM 1176 N GLY A 77 8.021 29.582 -2.338 1.00 0.00 N ATOM 1177 CA GLY A 77 9.130 28.760 -1.891 1.00 0.00 C ATOM 1178 C GLY A 77 8.679 27.417 -1.352 1.00 0.00 C ATOM 1179 O GLY A 77 9.360 26.813 -0.523 1.00 0.00 O ATOM 0 H GLY A 77 7.903 29.631 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.818 28.602 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.682 29.292 -1.116 1.00 0.00 H new ATOM 1183 N ASN A 78 7.528 26.947 -1.823 1.00 0.00 N ATOM 1184 CA ASN A 78 6.987 25.667 -1.383 1.00 0.00 C ATOM 1185 C ASN A 78 7.590 24.518 -2.186 1.00 0.00 C ATOM 1186 O ASN A 78 8.442 24.732 -3.048 1.00 0.00 O ATOM 1187 CB ASN A 78 5.464 25.658 -1.523 1.00 0.00 C ATOM 1188 CG ASN A 78 4.787 24.872 -0.417 1.00 0.00 C ATOM 1189 OD1 ASN A 78 4.920 25.198 0.763 1.00 0.00 O ATOM 1190 ND2 ASN A 78 4.055 23.831 -0.794 1.00 0.00 N ATOM 0 H ASN A 78 6.952 27.434 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 78 7.249 25.531 -0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.095 26.684 -1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.193 25.230 -2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.575 23.265 -0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.972 23.597 -1.783 1.00 0.00 H new ATOM 1197 N GLU A 79 7.143 23.300 -1.896 1.00 0.00 N ATOM 1198 CA GLU A 79 7.638 22.114 -2.591 1.00 0.00 C ATOM 1199 C GLU A 79 7.040 20.845 -1.991 1.00 0.00 C ATOM 1200 O GLU A 79 6.575 20.846 -0.851 1.00 0.00 O ATOM 1201 CB GLU A 79 9.166 22.051 -2.519 1.00 0.00 C ATOM 1202 CG GLU A 79 9.724 22.368 -1.141 1.00 0.00 C ATOM 1203 CD GLU A 79 11.198 22.723 -1.177 1.00 0.00 C ATOM 1204 OE1 GLU A 79 11.875 22.351 -2.158 1.00 0.00 O ATOM 1205 OE2 GLU A 79 11.675 23.374 -0.224 1.00 0.00 O ATOM 0 H GLU A 79 6.438 23.107 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 79 7.333 22.184 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.494 21.055 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.585 22.752 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.165 23.198 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.577 21.509 -0.487 1.00 0.00 H new ATOM 1212 N VAL A 80 7.059 19.762 -2.762 1.00 0.00 N ATOM 1213 CA VAL A 80 6.522 18.486 -2.301 1.00 0.00 C ATOM 1214 C VAL A 80 6.884 17.356 -3.256 1.00 0.00 C ATOM 1215 O VAL A 80 7.103 17.577 -4.445 1.00 0.00 O ATOM 1216 CB VAL A 80 4.991 18.535 -2.149 1.00 0.00 C ATOM 1217 CG1 VAL A 80 4.335 18.899 -3.472 1.00 0.00 C ATOM 1218 CG2 VAL A 80 4.463 17.204 -1.631 1.00 0.00 C ATOM 0 H VAL A 80 7.440 19.742 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 80 6.971 18.296 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 80 4.740 19.307 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.253 18.929 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.690 19.877 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.592 18.152 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.379 17.257 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.723 16.411 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.908 16.989 -0.659 1.00 0.00 H new ATOM 1228 N VAL A 81 6.934 16.142 -2.725 1.00 0.00 N ATOM 1229 CA VAL A 81 7.263 14.971 -3.526 1.00 0.00 C ATOM 1230 C VAL A 81 6.270 14.791 -4.676 1.00 0.00 C ATOM 1231 O VAL A 81 5.061 14.735 -4.452 1.00 0.00 O ATOM 1232 CB VAL A 81 7.276 13.691 -2.668 1.00 0.00 C ATOM 1233 CG1 VAL A 81 5.871 13.336 -2.201 1.00 0.00 C ATOM 1234 CG2 VAL A 81 7.898 12.541 -3.446 1.00 0.00 C ATOM 0 H VAL A 81 6.751 15.942 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 81 8.260 15.137 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 81 7.884 13.875 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.906 12.429 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.469 14.154 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.231 13.170 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.901 11.643 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.318 12.357 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.922 12.797 -3.718 1.00 0.00 H new ATOM 1244 N PRO A 82 6.762 14.690 -5.924 1.00 0.00 N ATOM 1245 CA PRO A 82 5.897 14.508 -7.095 1.00 0.00 C ATOM 1246 C PRO A 82 4.987 13.295 -6.948 1.00 0.00 C ATOM 1247 O PRO A 82 5.461 12.162 -6.860 1.00 0.00 O ATOM 1248 CB PRO A 82 6.890 14.297 -8.242 1.00 0.00 C ATOM 1249 CG PRO A 82 8.141 14.957 -7.782 1.00 0.00 C ATOM 1250 CD PRO A 82 8.188 14.737 -6.298 1.00 0.00 C ATOM 0 HA PRO A 82 5.227 15.355 -7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.050 13.237 -8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.525 14.741 -9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.015 14.526 -8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.135 16.020 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.703 13.810 -6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.713 15.544 -5.787 1.00 0.00 H new ATOM 1258 N LYS A 83 3.677 13.541 -6.917 1.00 0.00 N ATOM 1259 CA LYS A 83 2.686 12.473 -6.774 1.00 0.00 C ATOM 1260 C LYS A 83 3.063 11.241 -7.599 1.00 0.00 C ATOM 1261 O LYS A 83 2.793 11.182 -8.799 1.00 0.00 O ATOM 1262 CB LYS A 83 1.305 12.977 -7.198 1.00 0.00 C ATOM 1263 CG LYS A 83 1.290 13.627 -8.573 1.00 0.00 C ATOM 1264 CD LYS A 83 1.292 15.146 -8.475 1.00 0.00 C ATOM 1265 CE LYS A 83 2.594 15.738 -8.993 1.00 0.00 C ATOM 1266 NZ LYS A 83 2.480 16.173 -10.413 1.00 0.00 N ATOM 0 H LYS A 83 3.275 14.476 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 83 2.662 12.182 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.605 12.141 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.948 13.697 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.160 13.297 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.407 13.298 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.456 15.549 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.143 15.445 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.877 16.589 -8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.390 14.999 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.388 16.571 -10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.235 15.356 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.738 16.897 -10.496 1.00 0.00 H new ATOM 1280 N PRO A 84 3.697 10.238 -6.964 1.00 0.00 N ATOM 1281 CA PRO A 84 4.114 9.007 -7.642 1.00 0.00 C ATOM 1282 C PRO A 84 2.925 8.160 -8.083 1.00 0.00 C ATOM 1283 O PRO A 84 1.793 8.640 -8.134 1.00 0.00 O ATOM 1284 CB PRO A 84 4.935 8.259 -6.580 1.00 0.00 C ATOM 1285 CG PRO A 84 5.218 9.266 -5.516 1.00 0.00 C ATOM 1286 CD PRO A 84 4.063 10.221 -5.541 1.00 0.00 C ATOM 0 HA PRO A 84 4.673 9.220 -8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.380 7.410 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.859 7.865 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.310 8.789 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.158 9.784 -5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 84 3.240 9.879 -4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.347 11.211 -5.183 1.00 0.00 H new ATOM 1294 N GLN A 85 3.190 6.896 -8.396 1.00 0.00 N ATOM 1295 CA GLN A 85 2.142 5.979 -8.827 1.00 0.00 C ATOM 1296 C GLN A 85 1.588 5.199 -7.640 1.00 0.00 C ATOM 1297 O GLN A 85 1.964 4.050 -7.408 1.00 0.00 O ATOM 1298 CB GLN A 85 2.683 5.011 -9.881 1.00 0.00 C ATOM 1299 CG GLN A 85 1.613 4.128 -10.503 1.00 0.00 C ATOM 1300 CD GLN A 85 0.951 4.773 -11.704 1.00 0.00 C ATOM 1301 OE1 GLN A 85 0.230 5.762 -11.574 1.00 0.00 O ATOM 1302 NE2 GLN A 85 1.192 4.213 -12.884 1.00 0.00 N ATOM 0 H GLN A 85 4.122 6.483 -8.359 1.00 0.00 H new ATOM 0 HA GLN A 85 1.335 6.566 -9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.174 5.582 -10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.444 4.378 -9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.059 3.180 -10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.855 3.900 -9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.796 3.394 -12.946 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.773 4.602 -13.728 1.00 0.00 H new ATOM 1311 N ARG A 86 0.695 5.834 -6.888 1.00 0.00 N ATOM 1312 CA ARG A 86 0.091 5.203 -5.720 1.00 0.00 C ATOM 1313 C ARG A 86 -1.133 4.382 -6.114 1.00 0.00 C ATOM 1314 O ARG A 86 -1.760 4.639 -7.142 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.305 6.262 -4.689 1.00 0.00 C ATOM 1316 CG ARG A 86 0.745 7.345 -4.489 1.00 0.00 C ATOM 1317 CD ARG A 86 0.139 8.737 -4.579 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.698 8.896 -5.767 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.342 10.019 -6.075 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.250 11.083 -5.287 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.081 10.078 -7.174 1.00 0.00 N ATOM 0 H ARG A 86 0.373 6.785 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 86 0.830 4.533 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.240 6.728 -5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.496 5.773 -3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.220 7.217 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.526 7.238 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.457 8.931 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.937 9.479 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.794 8.099 -6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.683 11.043 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.746 11.941 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.156 9.263 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.575 10.938 -7.411 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.468 3.395 -5.290 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.620 2.538 -5.554 1.00 0.00 C ATOM 1337 C HIS A 87 -3.293 2.114 -4.251 1.00 0.00 C ATOM 1338 O HIS A 87 -2.631 1.657 -3.320 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.207 1.292 -6.349 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.876 1.407 -7.029 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.730 1.434 -8.400 1.00 0.00 N ATOM 1342 CD2 HIS A 87 0.375 1.497 -6.518 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.552 1.533 -8.703 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.243 1.574 -7.579 1.00 0.00 N ATOM 0 H HIS A 87 -0.960 3.168 -4.435 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.329 3.115 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.184 0.436 -5.675 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.969 1.086 -7.100 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.640 1.506 -5.471 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.964 1.573 -9.700 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.258 1.651 -7.510 1.00 0.00 H new ATOM 1353 N MET A 88 -4.613 2.257 -4.199 1.00 0.00 N ATOM 1354 CA MET A 88 -5.378 1.878 -3.016 1.00 0.00 C ATOM 1355 C MET A 88 -6.062 0.537 -3.237 1.00 0.00 C ATOM 1356 O MET A 88 -7.025 0.436 -3.997 1.00 0.00 O ATOM 1357 CB MET A 88 -6.426 2.943 -2.688 1.00 0.00 C ATOM 1358 CG MET A 88 -6.562 3.223 -1.200 1.00 0.00 C ATOM 1359 SD MET A 88 -8.267 3.527 -0.682 1.00 0.00 S ATOM 1360 CE MET A 88 -8.132 3.454 1.112 1.00 0.00 C ATOM 0 H MET A 88 -5.176 2.633 -4.962 1.00 0.00 H new ATOM 0 HA MET A 88 -4.688 1.794 -2.177 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.165 3.868 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.392 2.623 -3.079 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.165 2.376 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.952 4.089 -0.943 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.988 2.917 1.520 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.214 2.935 1.387 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.112 4.466 1.517 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.562 -0.489 -2.566 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.127 -1.824 -2.683 1.00 0.00 C ATOM 1372 C PHE A 89 -7.155 -2.042 -1.583 1.00 0.00 C ATOM 1373 O PHE A 89 -6.888 -1.757 -0.419 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.014 -2.868 -2.595 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.978 -3.803 -3.766 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.086 -4.566 -4.093 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.836 -3.916 -4.542 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.056 -5.426 -5.172 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.801 -4.773 -5.622 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.913 -5.529 -5.936 1.00 0.00 C ATOM 0 H PHE A 89 -4.764 -0.422 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.622 -1.927 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.054 -2.358 -2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.142 -3.448 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.983 -4.487 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.964 -3.327 -4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.926 -6.017 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.906 -4.853 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.887 -6.201 -6.781 1.00 0.00 H new ATOM 1390 N SER A 90 -8.340 -2.520 -1.951 1.00 0.00 N ATOM 1391 CA SER A 90 -9.399 -2.732 -0.973 1.00 0.00 C ATOM 1392 C SER A 90 -10.016 -4.116 -1.098 1.00 0.00 C ATOM 1393 O SER A 90 -10.318 -4.577 -2.197 1.00 0.00 O ATOM 1394 CB SER A 90 -10.487 -1.676 -1.149 1.00 0.00 C ATOM 1395 OG SER A 90 -11.077 -1.336 0.094 1.00 0.00 O ATOM 0 H SER A 90 -8.589 -2.765 -2.909 1.00 0.00 H new ATOM 0 HA SER A 90 -8.952 -2.649 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.061 -0.784 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.253 -2.049 -1.828 1.00 0.00 H new ATOM 0 HG SER A 90 -11.342 -0.393 0.083 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.213 -4.766 0.041 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.813 -6.092 0.067 1.00 0.00 C ATOM 1403 C PHE A 91 -11.921 -6.144 1.115 1.00 0.00 C ATOM 1404 O PHE A 91 -12.088 -5.209 1.897 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.763 -7.183 0.330 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.362 -6.678 0.566 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.720 -5.892 -0.378 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.683 -7.005 1.728 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.434 -5.441 -0.166 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.393 -6.556 1.942 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.769 -5.773 0.994 1.00 0.00 C ATOM 0 H PHE A 91 -9.966 -4.396 0.959 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.245 -6.287 -0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.074 -7.764 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.749 -7.864 -0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.233 -5.629 -1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.166 -7.617 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.948 -4.827 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.874 -6.819 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.762 -5.421 1.160 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.691 -7.225 1.111 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.799 -7.370 2.049 1.00 0.00 C ATOM 1423 C ASN A 92 -13.387 -8.103 3.323 1.00 0.00 C ATOM 1424 O ASN A 92 -14.237 -8.643 4.031 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.958 -8.111 1.381 1.00 0.00 C ATOM 1426 CG ASN A 92 -14.579 -9.517 0.959 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.509 -10.428 1.785 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.332 -9.701 -0.332 1.00 0.00 N ATOM 0 H ASN A 92 -12.570 -8.011 0.472 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.114 -6.366 2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.802 -8.156 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.289 -7.549 0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.072 -10.626 -0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.402 -8.918 -0.981 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.090 -8.126 3.623 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.615 -8.804 4.821 1.00 0.00 C ATOM 1437 C ASN A 93 -10.668 -7.928 5.633 1.00 0.00 C ATOM 1438 O ASN A 93 -9.617 -7.509 5.150 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.925 -10.116 4.450 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.880 -11.294 4.459 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.955 -11.241 3.863 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.491 -12.366 5.139 1.00 0.00 N ATOM 0 H ASN A 93 -11.360 -7.689 3.060 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.485 -9.016 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.478 -10.021 3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.111 -10.306 5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.092 -13.189 5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.591 -12.367 5.619 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.049 -7.675 6.883 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.236 -6.871 7.786 1.00 0.00 C ATOM 1451 C ARG A 94 -9.199 -7.748 8.479 1.00 0.00 C ATOM 1452 O ARG A 94 -8.145 -7.271 8.898 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.119 -6.180 8.827 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.349 -5.266 9.767 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.048 -5.130 11.109 1.00 0.00 C ATOM 1456 NE ARG A 94 -10.248 -4.375 12.070 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.210 -4.882 12.732 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.845 -6.144 12.541 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -8.536 -4.126 13.587 1.00 0.00 N ATOM 0 H ARG A 94 -11.918 -8.017 7.292 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.721 -6.107 7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.884 -5.598 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.636 -6.939 9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.344 -5.661 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.240 -4.282 9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.009 -4.634 10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.257 -6.121 11.511 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.499 -3.402 12.244 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.361 -6.730 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.049 -6.527 13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.813 -3.156 13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.741 -4.514 14.094 1.00 0.00 H new ATOM 1473 N THR A 95 -9.503 -9.039 8.581 1.00 0.00 N ATOM 1474 CA THR A 95 -8.597 -9.992 9.205 1.00 0.00 C ATOM 1475 C THR A 95 -7.549 -10.448 8.194 1.00 0.00 C ATOM 1476 O THR A 95 -6.398 -10.705 8.547 1.00 0.00 O ATOM 1477 CB THR A 95 -9.388 -11.187 9.758 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.175 -11.323 11.151 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.046 -12.518 9.114 1.00 0.00 C ATOM 0 H THR A 95 -10.372 -9.448 8.238 1.00 0.00 H new ATOM 0 HA THR A 95 -8.084 -9.511 10.038 1.00 0.00 H new ATOM 0 HB THR A 95 -10.428 -10.959 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.687 -12.088 11.487 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.650 -13.306 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.252 -12.468 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.990 -12.737 9.270 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.960 -10.537 6.932 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.063 -10.951 5.864 1.00 0.00 C ATOM 1489 C VAL A 96 -6.009 -9.878 5.604 1.00 0.00 C ATOM 1490 O VAL A 96 -4.822 -10.175 5.474 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.842 -11.261 4.558 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -8.036 -10.014 3.703 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.135 -12.350 3.767 1.00 0.00 C ATOM 0 H VAL A 96 -8.910 -10.327 6.626 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.566 -11.866 6.187 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.833 -11.617 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.586 -10.275 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.598 -9.270 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.063 -9.604 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.693 -12.557 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.129 -12.018 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.076 -13.257 4.369 1.00 0.00 H new ATOM 1503 N MET A 97 -6.460 -8.631 5.522 1.00 0.00 N ATOM 1504 CA MET A 97 -5.563 -7.506 5.269 1.00 0.00 C ATOM 1505 C MET A 97 -4.472 -7.392 6.333 1.00 0.00 C ATOM 1506 O MET A 97 -3.284 -7.337 6.016 1.00 0.00 O ATOM 1507 CB MET A 97 -6.355 -6.197 5.214 1.00 0.00 C ATOM 1508 CG MET A 97 -7.333 -6.012 6.366 1.00 0.00 C ATOM 1509 SD MET A 97 -6.705 -4.925 7.663 1.00 0.00 S ATOM 1510 CE MET A 97 -6.081 -3.550 6.702 1.00 0.00 C ATOM 0 H MET A 97 -7.441 -8.372 5.627 1.00 0.00 H new ATOM 0 HA MET A 97 -5.082 -7.690 4.308 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.655 -5.362 5.208 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.906 -6.158 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.267 -5.604 5.979 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.565 -6.986 6.797 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.993 -2.670 7.340 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.101 -3.804 6.297 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.768 -3.337 5.883 1.00 0.00 H new ATOM 1520 N ASP A 98 -4.887 -7.332 7.589 1.00 0.00 N ATOM 1521 CA ASP A 98 -3.959 -7.195 8.709 1.00 0.00 C ATOM 1522 C ASP A 98 -2.898 -8.294 8.722 1.00 0.00 C ATOM 1523 O ASP A 98 -1.843 -8.135 9.334 1.00 0.00 O ATOM 1524 CB ASP A 98 -4.727 -7.206 10.031 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.045 -6.379 11.104 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -2.835 -6.588 11.333 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.720 -5.524 11.714 1.00 0.00 O ATOM 0 H ASP A 98 -5.868 -7.376 7.863 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.444 -6.242 8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.734 -6.823 9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.830 -8.234 10.379 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.184 -9.413 8.068 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.247 -10.533 8.039 1.00 0.00 C ATOM 1534 C ASN A 99 -1.206 -10.387 6.932 1.00 0.00 C ATOM 1535 O ASN A 99 -0.074 -10.849 7.077 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.006 -11.850 7.864 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.571 -12.369 9.172 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.040 -12.088 10.246 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.654 -13.133 9.087 1.00 0.00 N ATOM 0 H ASN A 99 -4.051 -9.570 7.553 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.717 -10.535 8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.819 -11.706 7.152 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.337 -12.598 7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.078 -13.512 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.061 -13.341 8.175 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.586 -9.765 5.822 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.665 -9.596 4.704 1.00 0.00 C ATOM 1548 C ILE A 100 0.185 -8.331 4.836 1.00 0.00 C ATOM 1549 O ILE A 100 1.389 -8.364 4.579 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.407 -9.580 3.354 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.404 -9.544 2.199 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.351 -8.394 3.278 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.043 -9.332 0.844 1.00 0.00 C ATOM 0 H ILE A 100 -2.516 -9.373 5.672 1.00 0.00 H new ATOM 0 HA ILE A 100 0.001 -10.458 4.732 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.998 -10.492 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.316 -8.746 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.154 -10.480 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.866 -8.400 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.083 -8.460 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.783 -7.469 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.270 -9.318 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.742 -10.143 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.578 -8.382 0.838 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.430 -7.217 5.231 1.00 0.00 N ATOM 1566 CA LYS A 101 0.303 -5.968 5.381 1.00 0.00 C ATOM 1567 C LYS A 101 1.303 -6.068 6.522 1.00 0.00 C ATOM 1568 O LYS A 101 2.402 -5.519 6.448 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.659 -4.806 5.629 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.016 -3.441 5.451 1.00 0.00 C ATOM 1571 CD LYS A 101 0.631 -2.958 6.740 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.406 -2.554 7.775 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.127 -2.649 9.162 1.00 0.00 N ATOM 0 H LYS A 101 -1.424 -7.157 5.450 1.00 0.00 H new ATOM 0 HA LYS A 101 0.846 -5.781 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.505 -4.893 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.056 -4.883 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.735 -3.491 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.769 -2.722 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.263 -3.747 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.280 -2.109 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.733 -1.533 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.283 -3.194 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.658 -2.582 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.614 -3.559 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.797 -1.872 9.330 1.00 0.00 H new ATOM 1587 N MET A 102 0.915 -6.778 7.577 1.00 0.00 N ATOM 1588 CA MET A 102 1.781 -6.957 8.741 1.00 0.00 C ATOM 1589 C MET A 102 3.186 -7.359 8.305 1.00 0.00 C ATOM 1590 O MET A 102 4.180 -6.866 8.838 1.00 0.00 O ATOM 1591 CB MET A 102 1.200 -8.017 9.679 1.00 0.00 C ATOM 1592 CG MET A 102 2.057 -8.281 10.907 1.00 0.00 C ATOM 1593 SD MET A 102 1.080 -8.756 12.346 1.00 0.00 S ATOM 1594 CE MET A 102 1.715 -10.401 12.658 1.00 0.00 C ATOM 0 H MET A 102 0.008 -7.239 7.651 1.00 0.00 H new ATOM 0 HA MET A 102 1.839 -6.008 9.275 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.208 -7.701 10.000 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.074 -8.949 9.127 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.774 -9.071 10.682 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.633 -7.386 11.143 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.207 -10.829 13.522 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.540 -11.030 11.785 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.785 -10.346 12.857 1.00 0.00 H new ATOM 1604 N THR A 103 3.253 -8.250 7.323 1.00 0.00 N ATOM 1605 CA THR A 103 4.529 -8.716 6.796 1.00 0.00 C ATOM 1606 C THR A 103 5.234 -7.600 6.032 1.00 0.00 C ATOM 1607 O THR A 103 6.454 -7.453 6.109 1.00 0.00 O ATOM 1608 CB THR A 103 4.308 -9.921 5.881 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.707 -10.986 6.595 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.583 -10.450 5.258 1.00 0.00 C ATOM 0 H THR A 103 2.436 -8.665 6.875 1.00 0.00 H new ATOM 0 HA THR A 103 5.161 -9.015 7.632 1.00 0.00 H new ATOM 0 HB THR A 103 3.659 -9.559 5.083 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.480 -11.709 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.350 -11.304 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.047 -9.667 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.271 -10.760 6.045 1.00 0.00 H new ATOM 1618 N LEU A 104 4.456 -6.815 5.294 1.00 0.00 N ATOM 1619 CA LEU A 104 5.000 -5.711 4.513 1.00 0.00 C ATOM 1620 C LEU A 104 5.457 -4.572 5.420 1.00 0.00 C ATOM 1621 O LEU A 104 6.451 -3.902 5.139 1.00 0.00 O ATOM 1622 CB LEU A 104 3.953 -5.196 3.524 1.00 0.00 C ATOM 1623 CG LEU A 104 3.903 -5.940 2.187 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.633 -6.770 2.084 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.995 -4.962 1.026 1.00 0.00 C ATOM 0 H LEU A 104 3.444 -6.924 5.221 1.00 0.00 H new ATOM 0 HA LEU A 104 5.864 -6.082 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.971 -5.257 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.148 -4.142 3.329 1.00 0.00 H new ATOM 0 HG LEU A 104 4.759 -6.613 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.616 -7.291 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.608 -7.498 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.764 -6.116 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.958 -5.510 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.160 -4.263 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.933 -4.411 1.088 1.00 0.00 H new ATOM 1637 N GLN A 105 4.720 -4.353 6.506 1.00 0.00 N ATOM 1638 CA GLN A 105 5.044 -3.290 7.453 1.00 0.00 C ATOM 1639 C GLN A 105 6.504 -3.367 7.887 1.00 0.00 C ATOM 1640 O GLN A 105 7.237 -2.381 7.812 1.00 0.00 O ATOM 1641 CB GLN A 105 4.132 -3.375 8.678 1.00 0.00 C ATOM 1642 CG GLN A 105 4.389 -2.284 9.705 1.00 0.00 C ATOM 1643 CD GLN A 105 3.136 -1.887 10.461 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.441 -0.871 9.963 1.00 0.00 O flip ATOM 1645 NE2 GLN A 105 2.797 -2.486 11.481 1.00 0.00 N flip ATOM 0 H GLN A 105 3.894 -4.898 6.752 1.00 0.00 H new ATOM 0 HA GLN A 105 4.885 -2.335 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.093 -3.318 8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.264 -4.347 9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.143 -2.628 10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.799 -1.407 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.361 -3.262 11.828 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.952 -2.207 11.979 1.00 0.00 H new ATOM 1654 N GLN A 106 6.919 -4.543 8.340 1.00 0.00 N ATOM 1655 CA GLN A 106 8.291 -4.745 8.783 1.00 0.00 C ATOM 1656 C GLN A 106 9.270 -4.516 7.638 1.00 0.00 C ATOM 1657 O GLN A 106 10.370 -4.002 7.842 1.00 0.00 O ATOM 1658 CB GLN A 106 8.466 -6.157 9.346 1.00 0.00 C ATOM 1659 CG GLN A 106 7.423 -6.532 10.385 1.00 0.00 C ATOM 1660 CD GLN A 106 7.712 -7.864 11.049 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.910 -7.937 12.261 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.739 -8.927 10.254 1.00 0.00 N ATOM 0 H GLN A 106 6.326 -5.370 8.410 1.00 0.00 H new ATOM 0 HA GLN A 106 8.503 -4.021 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.424 -6.874 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.457 -6.241 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.378 -5.753 11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.442 -6.572 9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.569 -8.820 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.930 -9.850 10.643 1.00 0.00 H new ATOM 1671 N ILE A 107 8.867 -4.906 6.432 1.00 0.00 N ATOM 1672 CA ILE A 107 9.706 -4.750 5.261 1.00 0.00 C ATOM 1673 C ILE A 107 10.010 -3.282 4.983 1.00 0.00 C ATOM 1674 O ILE A 107 11.166 -2.874 5.010 1.00 0.00 O ATOM 1675 CB ILE A 107 9.055 -5.423 4.030 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.749 -6.749 3.762 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.102 -4.535 2.794 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.985 -7.658 2.822 1.00 0.00 C ATOM 0 H ILE A 107 7.960 -5.333 6.246 1.00 0.00 H new ATOM 0 HA ILE A 107 10.655 -5.248 5.463 1.00 0.00 H new ATOM 0 HB ILE A 107 8.002 -5.593 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.736 -6.554 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.902 -7.267 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.633 -5.052 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.567 -3.606 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.140 -4.311 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.542 -8.584 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 107 8.008 -7.884 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.855 -7.161 1.861 1.00 0.00 H new ATOM 1690 N ILE A 108 8.980 -2.486 4.718 1.00 0.00 N ATOM 1691 CA ILE A 108 9.190 -1.070 4.441 1.00 0.00 C ATOM 1692 C ILE A 108 9.998 -0.421 5.550 1.00 0.00 C ATOM 1693 O ILE A 108 10.748 0.526 5.321 1.00 0.00 O ATOM 1694 CB ILE A 108 7.870 -0.294 4.278 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.859 -1.094 3.455 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.143 1.054 3.628 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.400 -1.587 2.129 1.00 0.00 C ATOM 0 H ILE A 108 8.007 -2.790 4.689 1.00 0.00 H new ATOM 0 HA ILE A 108 9.733 -1.024 3.497 1.00 0.00 H new ATOM 0 HB ILE A 108 7.438 -0.132 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.525 -1.950 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.983 -0.473 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.206 1.600 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.824 1.629 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.594 0.901 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.624 -2.145 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.708 -0.735 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.258 -2.236 2.305 1.00 0.00 H new ATOM 1709 N SER A 109 9.838 -0.947 6.752 1.00 0.00 N ATOM 1710 CA SER A 109 10.549 -0.438 7.913 1.00 0.00 C ATOM 1711 C SER A 109 12.019 -0.846 7.866 1.00 0.00 C ATOM 1712 O SER A 109 12.874 -0.188 8.456 1.00 0.00 O ATOM 1713 CB SER A 109 9.893 -0.956 9.191 1.00 0.00 C ATOM 1714 OG SER A 109 10.021 -0.021 10.248 1.00 0.00 O ATOM 0 H SER A 109 9.218 -1.732 6.950 1.00 0.00 H new ATOM 0 HA SER A 109 10.499 0.651 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.838 -1.157 9.006 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.351 -1.901 9.481 1.00 0.00 H new ATOM 0 HG SER A 109 10.414 0.809 9.905 1.00 0.00 H new ATOM 1720 N ARG A 110 12.308 -1.931 7.150 1.00 0.00 N ATOM 1721 CA ARG A 110 13.677 -2.412 7.019 1.00 0.00 C ATOM 1722 C ARG A 110 14.276 -1.951 5.693 1.00 0.00 C ATOM 1723 O ARG A 110 15.433 -1.534 5.636 1.00 0.00 O ATOM 1724 CB ARG A 110 13.726 -3.944 7.145 1.00 0.00 C ATOM 1725 CG ARG A 110 13.627 -4.692 5.822 1.00 0.00 C ATOM 1726 CD ARG A 110 13.255 -6.152 6.031 1.00 0.00 C ATOM 1727 NE ARG A 110 14.265 -7.057 5.487 1.00 0.00 N ATOM 1728 CZ ARG A 110 15.407 -7.351 6.104 1.00 0.00 C ATOM 1729 NH1 ARG A 110 15.689 -6.813 7.285 1.00 0.00 N ATOM 1730 NH2 ARG A 110 16.270 -8.184 5.540 1.00 0.00 N ATOM 0 H ARG A 110 11.614 -2.490 6.654 1.00 0.00 H new ATOM 0 HA ARG A 110 14.275 -1.990 7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.657 -4.225 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.912 -4.268 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.881 -4.213 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.580 -4.630 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.131 -6.346 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.295 -6.353 5.556 1.00 0.00 H new ATOM 0 HE ARG A 110 14.084 -7.489 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.029 -6.171 7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 110 16.566 -7.042 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.059 -8.600 4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.145 -8.409 6.013 1.00 0.00 H new ATOM 1744 N TYR A 111 13.478 -2.016 4.629 1.00 0.00 N ATOM 1745 CA TYR A 111 13.932 -1.592 3.311 1.00 0.00 C ATOM 1746 C TYR A 111 14.112 -0.076 3.258 1.00 0.00 C ATOM 1747 O TYR A 111 14.773 0.448 2.363 1.00 0.00 O ATOM 1748 CB TYR A 111 12.936 -2.038 2.236 1.00 0.00 C ATOM 1749 CG TYR A 111 13.118 -3.471 1.778 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.863 -4.378 2.526 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.541 -3.917 0.596 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.027 -5.685 2.106 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.701 -5.222 0.170 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.444 -6.101 0.929 1.00 0.00 C ATOM 1755 OH TYR A 111 13.605 -7.402 0.508 1.00 0.00 O ATOM 0 H TYR A 111 12.517 -2.357 4.656 1.00 0.00 H new ATOM 0 HA TYR A 111 14.897 -2.061 3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.924 -1.917 2.622 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.029 -1.378 1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.320 -4.056 3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.957 -3.232 -0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.609 -6.376 2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.246 -5.551 -0.753 1.00 0.00 H new ATOM 0 HH TYR A 111 13.707 -7.988 1.287 1.00 0.00 H new ATOM 1765 N LYS A 112 13.519 0.624 4.222 1.00 0.00 N ATOM 1766 CA LYS A 112 13.615 2.077 4.287 1.00 0.00 C ATOM 1767 C LYS A 112 15.025 2.512 4.672 1.00 0.00 C ATOM 1768 O LYS A 112 15.569 3.466 4.115 1.00 0.00 O ATOM 1769 CB LYS A 112 12.611 2.619 5.305 1.00 0.00 C ATOM 1770 CG LYS A 112 11.315 3.110 4.684 1.00 0.00 C ATOM 1771 CD LYS A 112 11.530 4.379 3.873 1.00 0.00 C ATOM 1772 CE LYS A 112 12.187 5.470 4.704 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.181 6.784 4.002 1.00 0.00 N ATOM 0 H LYS A 112 12.966 0.206 4.970 1.00 0.00 H new ATOM 0 HA LYS A 112 13.387 2.480 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.383 1.837 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.073 3.438 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.901 2.333 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.583 3.299 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.152 4.156 3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.572 4.736 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.665 5.565 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.214 5.184 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.638 7.500 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.701 6.701 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.200 7.070 3.808 1.00 0.00 H new ATOM 1787 N ASP A 113 15.605 1.808 5.638 1.00 0.00 N ATOM 1788 CA ASP A 113 16.946 2.114 6.120 1.00 0.00 C ATOM 1789 C ASP A 113 18.026 1.685 5.129 1.00 0.00 C ATOM 1790 O ASP A 113 19.216 1.878 5.380 1.00 0.00 O ATOM 1791 CB ASP A 113 17.185 1.436 7.469 1.00 0.00 C ATOM 1792 CG ASP A 113 16.761 2.305 8.637 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.529 3.217 9.008 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.661 2.074 9.181 1.00 0.00 O ATOM 0 H ASP A 113 15.163 1.016 6.105 1.00 0.00 H new ATOM 0 HA ASP A 113 17.012 3.196 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 113 16.636 0.495 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.243 1.191 7.567 1.00 0.00 H new ATOM 1799 N ALA A 114 17.618 1.100 4.009 1.00 0.00 N ATOM 1800 CA ALA A 114 18.567 0.648 3.003 1.00 0.00 C ATOM 1801 C ALA A 114 18.244 1.228 1.630 1.00 0.00 C ATOM 1802 O ALA A 114 19.140 1.639 0.893 1.00 0.00 O ATOM 1803 CB ALA A 114 18.577 -0.869 2.954 1.00 0.00 C ATOM 0 H ALA A 114 16.640 0.929 3.777 1.00 0.00 H new ATOM 0 HA ALA A 114 19.559 1.005 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 114 19.289 -1.204 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 114 18.868 -1.263 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 114 17.581 -1.231 2.699 1.00 0.00 H new ATOM 1809 N ASP A 115 16.959 1.259 1.291 1.00 0.00 N ATOM 1810 CA ASP A 115 16.519 1.790 0.006 1.00 0.00 C ATOM 1811 C ASP A 115 16.938 3.248 -0.153 1.00 0.00 C ATOM 1812 O ASP A 115 17.421 3.836 0.838 1.00 0.00 O ATOM 1813 CB ASP A 115 15.000 1.666 -0.127 1.00 0.00 C ATOM 1814 CG ASP A 115 14.556 0.237 -0.366 1.00 0.00 C ATOM 1815 OD1 ASP A 115 15.203 -0.685 0.174 1.00 0.00 O ATOM 1816 OD2 ASP A 115 13.560 0.039 -1.093 1.00 0.00 O ATOM 1817 OXT ASP A 115 16.779 3.790 -1.267 1.00 0.00 O ATOM 0 H ASP A 115 16.204 0.922 1.889 1.00 0.00 H new ATOM 0 HA ASP A 115 16.995 1.207 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.527 2.044 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.658 2.293 -0.951 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N PRO B 59 -28.046 2.526 -4.174 1.00 0.00 N ATOM 1824 CA PRO B 59 -27.153 1.509 -3.556 1.00 0.00 C ATOM 1825 C PRO B 59 -26.183 0.913 -4.575 1.00 0.00 C ATOM 1826 O PRO B 59 -26.500 -0.066 -5.250 1.00 0.00 O ATOM 1827 CB PRO B 59 -28.041 0.416 -2.966 1.00 0.00 C ATOM 1828 CG PRO B 59 -29.430 0.934 -3.138 1.00 0.00 C ATOM 1829 CD PRO B 59 -29.380 1.915 -4.285 1.00 0.00 C ATOM 0 HA PRO B 59 -26.545 1.978 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -27.903 -0.532 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -27.810 0.240 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -30.124 0.121 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -29.779 1.419 -2.227 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -29.511 1.414 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -30.169 2.663 -4.205 1.00 0.00 H new ATOM 1837 N GLY B 60 -25.001 1.512 -4.679 1.00 0.00 N ATOM 1838 CA GLY B 60 -24.004 1.029 -5.616 1.00 0.00 C ATOM 1839 C GLY B 60 -22.936 0.189 -4.944 1.00 0.00 C ATOM 1840 O GLY B 60 -23.219 -0.548 -4.000 1.00 0.00 O ATOM 0 H GLY B 60 -24.716 2.324 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.493 0.438 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.535 1.878 -6.113 1.00 0.00 H new ATOM 1844 N GLU B 61 -21.705 0.300 -5.432 1.00 0.00 N ATOM 1845 CA GLU B 61 -20.590 -0.455 -4.872 1.00 0.00 C ATOM 1846 C GLU B 61 -19.317 0.385 -4.855 1.00 0.00 C ATOM 1847 O GLU B 61 -18.424 0.197 -5.682 1.00 0.00 O ATOM 1848 CB GLU B 61 -20.360 -1.736 -5.676 1.00 0.00 C ATOM 1849 CG GLU B 61 -21.142 -2.931 -5.155 1.00 0.00 C ATOM 1850 CD GLU B 61 -20.508 -3.550 -3.924 1.00 0.00 C ATOM 1851 OE1 GLU B 61 -19.644 -4.437 -4.084 1.00 0.00 O ATOM 1852 OE2 GLU B 61 -20.876 -3.146 -2.801 1.00 0.00 O ATOM 0 H GLU B 61 -21.454 0.905 -6.214 1.00 0.00 H new ATOM 0 HA GLU B 61 -20.842 -0.719 -3.845 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -20.636 -1.557 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -19.297 -1.976 -5.665 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -22.159 -2.620 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -21.214 -3.684 -5.940 1.00 0.00 H new ATOM 1859 N GLU B 62 -19.239 1.313 -3.906 1.00 0.00 N ATOM 1860 CA GLU B 62 -18.074 2.183 -3.779 1.00 0.00 C ATOM 1861 C GLU B 62 -17.465 2.066 -2.385 1.00 0.00 C ATOM 1862 O GLU B 62 -17.615 2.960 -1.553 1.00 0.00 O ATOM 1863 CB GLU B 62 -18.448 3.645 -4.070 1.00 0.00 C ATOM 1864 CG GLU B 62 -19.928 3.862 -4.337 1.00 0.00 C ATOM 1865 CD GLU B 62 -20.217 5.214 -4.960 1.00 0.00 C ATOM 1866 OE1 GLU B 62 -19.611 5.528 -6.006 1.00 0.00 O ATOM 1867 OE2 GLU B 62 -21.049 5.959 -4.401 1.00 0.00 O ATOM 0 H GLU B 62 -19.969 1.482 -3.214 1.00 0.00 H new ATOM 0 HA GLU B 62 -17.334 1.862 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -18.148 4.262 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -17.879 3.990 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -20.293 3.076 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -20.479 3.772 -3.401 1.00 0.00 H new ATOM 1874 N GLU B 63 -16.779 0.953 -2.135 1.00 0.00 N ATOM 1875 CA GLU B 63 -16.151 0.714 -0.839 1.00 0.00 C ATOM 1876 C GLU B 63 -17.207 0.527 0.245 1.00 0.00 C ATOM 1877 O GLU B 63 -17.421 -0.581 0.736 1.00 0.00 O ATOM 1878 CB GLU B 63 -15.223 1.876 -0.471 1.00 0.00 C ATOM 1879 CG GLU B 63 -13.830 1.434 -0.055 1.00 0.00 C ATOM 1880 CD GLU B 63 -12.855 1.408 -1.215 1.00 0.00 C ATOM 1881 OE1 GLU B 63 -13.131 2.073 -2.237 1.00 0.00 O ATOM 1882 OE2 GLU B 63 -11.816 0.724 -1.103 1.00 0.00 O ATOM 0 H GLU B 63 -16.644 0.203 -2.813 1.00 0.00 H new ATOM 0 HA GLU B 63 -15.561 -0.199 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -15.142 2.549 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -15.673 2.445 0.343 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -13.454 2.107 0.715 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -13.886 0.440 0.390 1.00 0.00 H new ATOM 1889 N ASP B 64 -17.867 1.621 0.608 1.00 0.00 N ATOM 1890 CA ASP B 64 -18.906 1.587 1.629 1.00 0.00 C ATOM 1891 C ASP B 64 -19.763 2.847 1.563 1.00 0.00 C ATOM 1892 O ASP B 64 -20.914 2.803 1.130 1.00 0.00 O ATOM 1893 CB ASP B 64 -18.282 1.447 3.020 1.00 0.00 C ATOM 1894 CG ASP B 64 -19.326 1.362 4.117 1.00 0.00 C ATOM 1895 OD1 ASP B 64 -19.935 2.404 4.438 1.00 0.00 O ATOM 1896 OD2 ASP B 64 -19.533 0.254 4.654 1.00 0.00 O ATOM 0 H ASP B 64 -17.700 2.545 0.209 1.00 0.00 H new ATOM 0 HA ASP B 64 -19.543 0.723 1.441 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -17.658 0.554 3.047 1.00 0.00 H new ATOM 0 HB3 ASP B 64 -17.629 2.299 3.209 1.00 0.00 H new ATOM 1901 N ASP B 65 -19.189 3.970 1.990 1.00 0.00 N ATOM 1902 CA ASP B 65 -19.891 5.251 1.979 1.00 0.00 C ATOM 1903 C ASP B 65 -19.046 6.334 2.645 1.00 0.00 C ATOM 1904 O ASP B 65 -19.207 6.614 3.833 1.00 0.00 O ATOM 1905 CB ASP B 65 -21.243 5.133 2.693 1.00 0.00 C ATOM 1906 CG ASP B 65 -21.983 6.455 2.763 1.00 0.00 C ATOM 1907 OD1 ASP B 65 -22.730 6.768 1.812 1.00 0.00 O ATOM 1908 OD2 ASP B 65 -21.816 7.177 3.768 1.00 0.00 O ATOM 0 H ASP B 65 -18.236 4.018 2.349 1.00 0.00 H new ATOM 0 HA ASP B 65 -20.065 5.530 0.940 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -21.862 4.402 2.173 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -21.084 4.756 3.703 1.00 0.00 H new ATOM 1913 N GLU B 66 -18.146 6.938 1.871 1.00 0.00 N ATOM 1914 CA GLU B 66 -17.270 7.993 2.379 1.00 0.00 C ATOM 1915 C GLU B 66 -16.680 7.619 3.737 1.00 0.00 C ATOM 1916 O GLU B 66 -16.576 8.457 4.633 1.00 0.00 O ATOM 1917 CB GLU B 66 -18.036 9.315 2.487 1.00 0.00 C ATOM 1918 CG GLU B 66 -19.139 9.301 3.535 1.00 0.00 C ATOM 1919 CD GLU B 66 -19.582 10.695 3.933 1.00 0.00 C ATOM 1920 OE1 GLU B 66 -18.741 11.461 4.448 1.00 0.00 O ATOM 1921 OE2 GLU B 66 -20.770 11.021 3.729 1.00 0.00 O ATOM 0 H GLU B 66 -18.004 6.714 0.886 1.00 0.00 H new ATOM 0 HA GLU B 66 -16.448 8.112 1.673 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -17.333 10.113 2.724 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -18.472 9.552 1.517 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -19.995 8.748 3.149 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -18.788 8.769 4.419 1.00 0.00 H new ATOM 1928 N ARG B 67 -16.294 6.355 3.880 1.00 0.00 N ATOM 1929 CA ARG B 67 -15.716 5.866 5.122 1.00 0.00 C ATOM 1930 C ARG B 67 -14.912 4.599 4.877 1.00 0.00 C ATOM 1931 O ARG B 67 -13.797 4.446 5.375 1.00 0.00 O ATOM 1932 CB ARG B 67 -16.811 5.599 6.158 1.00 0.00 C ATOM 1933 CG ARG B 67 -17.587 6.842 6.562 1.00 0.00 C ATOM 1934 CD ARG B 67 -18.592 6.539 7.661 1.00 0.00 C ATOM 1935 NE ARG B 67 -17.992 5.785 8.760 1.00 0.00 N ATOM 1936 CZ ARG B 67 -17.215 6.328 9.694 1.00 0.00 C ATOM 1937 NH1 ARG B 67 -16.941 7.627 9.666 1.00 0.00 N ATOM 1938 NH2 ARG B 67 -16.710 5.571 10.658 1.00 0.00 N ATOM 0 H ARG B 67 -16.372 5.650 3.147 1.00 0.00 H new ATOM 0 HA ARG B 67 -15.048 6.635 5.509 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -17.506 4.862 5.757 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -16.358 5.159 7.047 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -16.893 7.610 6.904 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -18.107 7.246 5.693 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -19.003 7.473 8.044 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -19.425 5.972 7.244 1.00 0.00 H new ATOM 0 HE ARG B 67 -18.180 4.784 8.814 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -17.327 8.214 8.926 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -16.345 8.038 10.384 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -16.917 4.573 10.684 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -16.114 5.987 11.374 1.00 0.00 H new ATOM 1952 N GLY B 68 -15.489 3.699 4.098 1.00 0.00 N ATOM 1953 CA GLY B 68 -14.827 2.447 3.777 1.00 0.00 C ATOM 1954 C GLY B 68 -13.468 2.649 3.132 1.00 0.00 C ATOM 1955 O GLY B 68 -12.697 1.700 3.000 1.00 0.00 O ATOM 0 H GLY B 68 -16.411 3.812 3.678 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -14.708 1.860 4.688 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -15.461 1.868 3.105 1.00 0.00 H new ATOM 1959 N ALA B 69 -13.170 3.884 2.728 1.00 0.00 N ATOM 1960 CA ALA B 69 -11.894 4.192 2.097 1.00 0.00 C ATOM 1961 C ALA B 69 -11.344 5.527 2.593 1.00 0.00 C ATOM 1962 O ALA B 69 -10.996 6.399 1.796 1.00 0.00 O ATOM 1963 CB ALA B 69 -12.046 4.208 0.583 1.00 0.00 C ATOM 0 H ALA B 69 -13.796 4.683 2.828 1.00 0.00 H new ATOM 0 HA ALA B 69 -11.182 3.413 2.371 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.085 4.439 0.123 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -12.386 3.230 0.241 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -12.776 4.966 0.299 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.272 5.686 3.912 1.00 0.00 N ATOM 1970 CA ASP B 70 -10.767 6.923 4.501 1.00 0.00 C ATOM 1971 C ASP B 70 -10.169 6.687 5.888 1.00 0.00 C ATOM 1972 O ASP B 70 -10.284 7.535 6.773 1.00 0.00 O ATOM 1973 CB ASP B 70 -11.888 7.960 4.589 1.00 0.00 C ATOM 1974 CG ASP B 70 -11.380 9.327 5.005 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -10.183 9.608 4.783 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.178 10.116 5.551 1.00 0.00 O ATOM 0 H ASP B 70 -11.555 4.978 4.590 1.00 0.00 H new ATOM 0 HA ASP B 70 -9.974 7.296 3.853 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.383 8.039 3.621 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -12.638 7.621 5.304 1.00 0.00 H new ATOM 1981 N ALA B 71 -9.526 5.538 6.072 1.00 0.00 N ATOM 1982 CA ALA B 71 -8.906 5.208 7.354 1.00 0.00 C ATOM 1983 C ALA B 71 -7.628 4.400 7.158 1.00 0.00 C ATOM 1984 O ALA B 71 -7.487 3.304 7.701 1.00 0.00 O ATOM 1985 CB ALA B 71 -9.883 4.445 8.237 1.00 0.00 C ATOM 0 H ALA B 71 -9.420 4.821 5.354 1.00 0.00 H new ATOM 0 HA ALA B 71 -8.642 6.143 7.848 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -9.405 4.207 9.187 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -10.765 5.059 8.418 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.179 3.522 7.739 1.00 0.00 H new ATOM 1991 N THR B 72 -6.698 4.944 6.380 1.00 0.00 N ATOM 1992 CA THR B 72 -5.435 4.260 6.123 1.00 0.00 C ATOM 1993 C THR B 72 -4.264 5.233 5.998 1.00 0.00 C ATOM 1994 O THR B 72 -3.119 4.865 6.261 1.00 0.00 O ATOM 1995 CB THR B 72 -5.537 3.410 4.861 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.460 3.976 3.951 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.962 1.984 5.126 1.00 0.00 C ATOM 0 H THR B 72 -6.793 5.849 5.920 1.00 0.00 H new ATOM 0 HA THR B 72 -5.241 3.618 6.982 1.00 0.00 H new ATOM 0 HB THR B 72 -4.530 3.394 4.444 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.002 4.634 3.387 1.00 0.00 H new ATOM 0 HG21 THR B 72 -6.013 1.439 4.184 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.237 1.505 5.784 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.943 1.979 5.602 1.00 0.00 H new ATOM 2005 N TRP B 73 -4.543 6.468 5.593 1.00 0.00 N ATOM 2006 CA TRP B 73 -3.486 7.470 5.439 1.00 0.00 C ATOM 2007 C TRP B 73 -3.189 8.149 6.772 1.00 0.00 C ATOM 2008 O TRP B 73 -3.167 9.377 6.870 1.00 0.00 O ATOM 2009 CB TRP B 73 -3.865 8.526 4.393 1.00 0.00 C ATOM 2010 CG TRP B 73 -4.732 8.013 3.282 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -5.644 8.729 2.571 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -4.773 6.683 2.757 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -6.254 7.929 1.637 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -5.735 6.667 1.735 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.091 5.505 3.052 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.029 5.517 1.013 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -4.387 4.364 2.337 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -5.343 4.376 1.333 1.00 0.00 C ATOM 0 H TRP B 73 -5.481 6.800 5.367 1.00 0.00 H new ATOM 0 HA TRP B 73 -2.591 6.951 5.095 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -4.382 9.345 4.892 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -2.952 8.939 3.964 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -5.858 9.777 2.720 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -6.975 8.226 0.979 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -3.341 5.486 3.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -6.771 5.523 0.228 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -3.866 3.446 2.563 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -5.551 3.465 0.791 1.00 0.00 H new ATOM 2029 N ASP B 74 -2.964 7.337 7.796 1.00 0.00 N ATOM 2030 CA ASP B 74 -2.670 7.843 9.133 1.00 0.00 C ATOM 2031 C ASP B 74 -2.050 6.756 10.019 1.00 0.00 C ATOM 2032 O ASP B 74 -1.693 7.012 11.168 1.00 0.00 O ATOM 2033 CB ASP B 74 -3.950 8.375 9.782 1.00 0.00 C ATOM 2034 CG ASP B 74 -3.671 9.426 10.838 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -3.260 10.546 10.467 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -3.863 9.130 12.036 1.00 0.00 O ATOM 0 H ASP B 74 -2.979 6.319 7.727 1.00 0.00 H new ATOM 0 HA ASP B 74 -1.946 8.652 9.035 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -4.594 8.800 9.012 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -4.496 7.547 10.234 1.00 0.00 H new ATOM 2041 N LEU B 75 -1.922 5.545 9.477 1.00 0.00 N ATOM 2042 CA LEU B 75 -1.345 4.427 10.213 1.00 0.00 C ATOM 2043 C LEU B 75 -0.168 3.822 9.458 1.00 0.00 C ATOM 2044 O LEU B 75 0.490 2.905 9.949 1.00 0.00 O ATOM 2045 CB LEU B 75 -2.401 3.346 10.466 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.347 3.047 9.295 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.332 4.186 9.099 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -2.575 2.798 8.008 1.00 0.00 C ATOM 0 H LEU B 75 -2.212 5.316 8.527 1.00 0.00 H new ATOM 0 HA LEU B 75 -0.988 4.811 11.168 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -1.890 2.423 10.740 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.001 3.645 11.325 1.00 0.00 H new ATOM 0 HG LEU B 75 -3.899 2.140 9.541 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.994 3.955 8.264 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -4.923 4.316 10.006 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.787 5.106 8.886 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -3.275 2.589 7.199 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.986 3.681 7.760 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -1.910 1.945 8.142 1.00 0.00 H new ATOM 2060 N ASP B 76 0.085 4.327 8.255 1.00 0.00 N ATOM 2061 CA ASP B 76 1.162 3.828 7.435 1.00 0.00 C ATOM 2062 C ASP B 76 2.497 4.439 7.842 1.00 0.00 C ATOM 2063 O ASP B 76 3.557 3.847 7.638 1.00 0.00 O ATOM 2064 CB ASP B 76 0.877 4.137 5.969 1.00 0.00 C ATOM 2065 CG ASP B 76 0.430 5.568 5.744 1.00 0.00 C ATOM 2066 OD1 ASP B 76 -0.597 5.969 6.332 1.00 0.00 O ATOM 2067 OD2 ASP B 76 1.106 6.289 4.980 1.00 0.00 O ATOM 0 H ASP B 76 -0.450 5.086 7.832 1.00 0.00 H new ATOM 0 HA ASP B 76 1.227 2.749 7.578 1.00 0.00 H new ATOM 0 HB2 ASP B 76 1.775 3.945 5.381 1.00 0.00 H new ATOM 0 HB3 ASP B 76 0.106 3.459 5.603 1.00 0.00 H new ATOM 2072 N LEU B 77 2.429 5.634 8.407 1.00 0.00 N ATOM 2073 CA LEU B 77 3.616 6.359 8.841 1.00 0.00 C ATOM 2074 C LEU B 77 4.329 5.622 9.972 1.00 0.00 C ATOM 2075 O LEU B 77 3.871 4.575 10.428 1.00 0.00 O ATOM 2076 CB LEU B 77 3.218 7.768 9.293 1.00 0.00 C ATOM 2077 CG LEU B 77 2.698 8.712 8.197 1.00 0.00 C ATOM 2078 CD1 LEU B 77 3.628 9.899 8.018 1.00 0.00 C ATOM 2079 CD2 LEU B 77 2.509 7.978 6.880 1.00 0.00 C ATOM 0 H LEU B 77 1.553 6.129 8.578 1.00 0.00 H new ATOM 0 HA LEU B 77 4.307 6.428 8.001 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.449 7.677 10.060 1.00 0.00 H new ATOM 0 HB3 LEU B 77 4.084 8.234 9.764 1.00 0.00 H new ATOM 0 HG LEU B 77 1.725 9.084 8.517 1.00 0.00 H new ATOM 0 HD11 LEU B 77 3.238 10.552 7.237 1.00 0.00 H new ATOM 0 HD12 LEU B 77 3.695 10.453 8.954 1.00 0.00 H new ATOM 0 HD13 LEU B 77 4.619 9.545 7.734 1.00 0.00 H new ATOM 0 HD21 LEU B 77 2.140 8.673 6.126 1.00 0.00 H new ATOM 0 HD22 LEU B 77 3.463 7.562 6.555 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.788 7.171 7.013 1.00 0.00 H new ATOM 2091 N LEU B 78 5.456 6.178 10.414 1.00 0.00 N ATOM 2092 CA LEU B 78 6.244 5.581 11.489 1.00 0.00 C ATOM 2093 C LEU B 78 6.908 4.289 11.024 1.00 0.00 C ATOM 2094 O LEU B 78 6.620 3.208 11.538 1.00 0.00 O ATOM 2095 CB LEU B 78 5.369 5.311 12.718 1.00 0.00 C ATOM 2096 CG LEU B 78 4.611 6.527 13.254 1.00 0.00 C ATOM 2097 CD1 LEU B 78 3.256 6.654 12.575 1.00 0.00 C ATOM 2098 CD2 LEU B 78 4.447 6.428 14.763 1.00 0.00 C ATOM 0 H LEU B 78 5.844 7.045 10.042 1.00 0.00 H new ATOM 0 HA LEU B 78 7.024 6.291 11.765 1.00 0.00 H new ATOM 0 HB2 LEU B 78 4.647 4.534 12.467 1.00 0.00 H new ATOM 0 HB3 LEU B 78 6.000 4.915 13.514 1.00 0.00 H new ATOM 0 HG LEU B 78 5.191 7.422 13.029 1.00 0.00 H new ATOM 0 HD11 LEU B 78 2.732 7.524 12.969 1.00 0.00 H new ATOM 0 HD12 LEU B 78 3.397 6.771 11.501 1.00 0.00 H new ATOM 0 HD13 LEU B 78 2.667 5.757 12.768 1.00 0.00 H new ATOM 0 HD21 LEU B 78 3.906 7.301 15.128 1.00 0.00 H new ATOM 0 HD22 LEU B 78 3.888 5.525 15.010 1.00 0.00 H new ATOM 0 HD23 LEU B 78 5.429 6.387 15.234 1.00 0.00 H new ATOM 2110 N LEU B 79 7.802 4.412 10.048 1.00 0.00 N ATOM 2111 CA LEU B 79 8.512 3.257 9.511 1.00 0.00 C ATOM 2112 C LEU B 79 9.951 3.221 10.017 1.00 0.00 C ATOM 2113 O LEU B 79 10.309 2.378 10.841 1.00 0.00 O ATOM 2114 CB LEU B 79 8.498 3.289 7.981 1.00 0.00 C ATOM 2115 CG LEU B 79 7.129 3.051 7.342 1.00 0.00 C ATOM 2116 CD1 LEU B 79 7.040 3.753 5.996 1.00 0.00 C ATOM 2117 CD2 LEU B 79 6.867 1.560 7.185 1.00 0.00 C ATOM 0 H LEU B 79 8.052 5.300 9.613 1.00 0.00 H new ATOM 0 HA LEU B 79 8.002 2.356 9.853 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.874 4.257 7.649 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.191 2.534 7.610 1.00 0.00 H new ATOM 0 HG LEU B 79 6.365 3.468 7.998 1.00 0.00 H new ATOM 0 HD11 LEU B 79 6.059 3.573 5.556 1.00 0.00 H new ATOM 0 HD12 LEU B 79 7.184 4.825 6.134 1.00 0.00 H new ATOM 0 HD13 LEU B 79 7.813 3.366 5.332 1.00 0.00 H new ATOM 0 HD21 LEU B 79 5.889 1.409 6.729 1.00 0.00 H new ATOM 0 HD22 LEU B 79 7.636 1.120 6.549 1.00 0.00 H new ATOM 0 HD23 LEU B 79 6.889 1.082 8.164 1.00 0.00 H new ATOM 2129 N THR B 80 10.772 4.140 9.520 1.00 0.00 N ATOM 2130 CA THR B 80 12.167 4.217 9.918 1.00 0.00 C ATOM 2131 C THR B 80 12.484 5.574 10.538 1.00 0.00 C ATOM 2132 O THR B 80 12.827 6.524 9.835 1.00 0.00 O ATOM 2133 CB THR B 80 13.080 3.963 8.718 1.00 0.00 C ATOM 2134 OG1 THR B 80 12.684 4.753 7.611 1.00 0.00 O ATOM 2135 CG2 THR B 80 13.091 2.517 8.270 1.00 0.00 C ATOM 0 H THR B 80 10.490 4.844 8.838 1.00 0.00 H new ATOM 0 HA THR B 80 12.346 3.446 10.668 1.00 0.00 H new ATOM 0 HB THR B 80 14.082 4.230 9.055 1.00 0.00 H new ATOM 0 HG1 THR B 80 12.580 5.685 7.895 1.00 0.00 H new ATOM 0 HG21 THR B 80 13.758 2.406 7.415 1.00 0.00 H new ATOM 0 HG22 THR B 80 13.440 1.886 9.087 1.00 0.00 H new ATOM 0 HG23 THR B 80 12.083 2.217 7.985 1.00 0.00 H new ATOM 2143 N ASN B 81 12.367 5.656 11.860 1.00 0.00 N ATOM 2144 CA ASN B 81 12.642 6.897 12.576 1.00 0.00 C ATOM 2145 C ASN B 81 13.804 6.718 13.548 1.00 0.00 C ATOM 2146 O ASN B 81 14.509 5.710 13.509 1.00 0.00 O ATOM 2147 CB ASN B 81 11.395 7.360 13.332 1.00 0.00 C ATOM 2148 CG ASN B 81 10.148 7.325 12.470 1.00 0.00 C ATOM 2149 OD1 ASN B 81 9.208 6.581 12.747 1.00 0.00 O ATOM 2150 ND2 ASN B 81 10.135 8.132 11.415 1.00 0.00 N ATOM 0 H ASN B 81 12.084 4.879 12.457 1.00 0.00 H new ATOM 0 HA ASN B 81 12.918 7.657 11.845 1.00 0.00 H new ATOM 0 HB2 ASN B 81 11.247 6.725 14.206 1.00 0.00 H new ATOM 0 HB3 ASN B 81 11.552 8.375 13.698 1.00 0.00 H new ATOM 0 HD21 ASN B 81 9.323 8.151 10.797 1.00 0.00 H new ATOM 0 HD22 ASN B 81 10.937 8.733 11.223 1.00 0.00 H new ATOM 2157 N PHE B 82 13.997 7.703 14.419 1.00 0.00 N ATOM 2158 CA PHE B 82 15.074 7.654 15.402 1.00 0.00 C ATOM 2159 C PHE B 82 14.519 7.457 16.809 1.00 0.00 C ATOM 2160 O PHE B 82 15.053 7.994 17.779 1.00 0.00 O ATOM 2161 CB PHE B 82 15.904 8.938 15.344 1.00 0.00 C ATOM 2162 CG PHE B 82 16.561 9.169 14.013 1.00 0.00 C ATOM 2163 CD1 PHE B 82 17.505 8.278 13.528 1.00 0.00 C ATOM 2164 CD2 PHE B 82 16.235 10.277 13.248 1.00 0.00 C ATOM 2165 CE1 PHE B 82 18.111 8.487 12.304 1.00 0.00 C ATOM 2166 CE2 PHE B 82 16.838 10.492 12.023 1.00 0.00 C ATOM 2167 CZ PHE B 82 17.777 9.596 11.550 1.00 0.00 C ATOM 0 H PHE B 82 13.422 8.544 14.464 1.00 0.00 H new ATOM 0 HA PHE B 82 15.713 6.805 15.161 1.00 0.00 H new ATOM 0 HB2 PHE B 82 15.261 9.787 15.575 1.00 0.00 H new ATOM 0 HB3 PHE B 82 16.671 8.900 16.117 1.00 0.00 H new ATOM 0 HD1 PHE B 82 17.770 7.410 14.114 1.00 0.00 H new ATOM 0 HD2 PHE B 82 15.501 10.981 13.613 1.00 0.00 H new ATOM 0 HE1 PHE B 82 18.845 7.785 11.937 1.00 0.00 H new ATOM 0 HE2 PHE B 82 16.575 11.360 11.436 1.00 0.00 H new ATOM 0 HZ PHE B 82 18.249 9.762 10.593 1.00 0.00 H new ATOM 2177 N SER B 83 13.443 6.683 16.912 1.00 0.00 N ATOM 2178 CA SER B 83 12.815 6.415 18.200 1.00 0.00 C ATOM 2179 C SER B 83 13.235 5.051 18.737 1.00 0.00 C ATOM 2180 O SER B 83 12.559 4.048 18.508 1.00 0.00 O ATOM 2181 CB SER B 83 11.292 6.479 18.072 1.00 0.00 C ATOM 2182 OG SER B 83 10.897 7.531 17.208 1.00 0.00 O ATOM 0 H SER B 83 12.988 6.231 16.119 1.00 0.00 H new ATOM 0 HA SER B 83 13.146 7.179 18.903 1.00 0.00 H new ATOM 0 HB2 SER B 83 10.916 5.530 17.690 1.00 0.00 H new ATOM 0 HB3 SER B 83 10.847 6.626 19.056 1.00 0.00 H new ATOM 0 HG SER B 83 9.919 7.550 17.141 1.00 0.00 H new ATOM 2188 N GLY B 84 14.355 5.020 19.452 1.00 0.00 N ATOM 2189 CA GLY B 84 14.846 3.774 20.010 1.00 0.00 C ATOM 2190 C GLY B 84 16.343 3.606 19.830 1.00 0.00 C ATOM 2191 O GLY B 84 16.921 4.152 18.890 1.00 0.00 O ATOM 0 H GLY B 84 14.932 5.837 19.655 1.00 0.00 H new ATOM 0 HA2 GLY B 84 14.605 3.735 21.072 1.00 0.00 H new ATOM 0 HA3 GLY B 84 14.330 2.939 19.535 1.00 0.00 H new ATOM 2195 N PRO B 85 17.004 2.850 20.722 1.00 0.00 N ATOM 2196 CA PRO B 85 18.450 2.620 20.645 1.00 0.00 C ATOM 2197 C PRO B 85 18.833 1.732 19.465 1.00 0.00 C ATOM 2198 O PRO B 85 20.038 1.443 19.310 1.00 0.00 O ATOM 2199 CB PRO B 85 18.771 1.919 21.967 1.00 0.00 C ATOM 2200 CG PRO B 85 17.496 1.261 22.366 1.00 0.00 C ATOM 2201 CD PRO B 85 16.394 2.160 21.875 1.00 0.00 C ATOM 0 HA PRO B 85 19.002 3.548 20.495 1.00 0.00 H new ATOM 0 HB2 PRO B 85 19.571 1.189 21.844 1.00 0.00 H new ATOM 0 HB3 PRO B 85 19.102 2.631 22.723 1.00 0.00 H new ATOM 0 HG2 PRO B 85 17.415 0.268 21.925 1.00 0.00 H new ATOM 0 HG3 PRO B 85 17.444 1.135 23.447 1.00 0.00 H new ATOM 0 HD2 PRO B 85 15.512 1.591 21.582 1.00 0.00 H new ATOM 0 HD3 PRO B 85 16.078 2.865 22.644 1.00 0.00 H new TER 2209 PRO B 85