USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 854 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 80 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 41 GLN : amide:sc= -0.145 K(o=-0.14,f=-2.5!) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 32 GLN : amide:sc= -2.17 K(o=-2.2,f=-8.4!) USER MOD Set 4.1: A 1 MET CE :methyl -104:sc= -4.67 (180deg=-1.15) USER MOD Set 4.2: A 21 MET CE :methyl -159:sc= -4.03! (180deg=-5.7!) USER MOD Set 4.3: A 42 HIS : no HD1:sc= -11.4! C(o=-20!,f=-29!) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.133 (180deg=-5.56!) USER MOD Single : A 2 ASN : amide:sc= -7.81! C(o=-7.8!,f=-5.1!) USER MOD Single : A 4 THR OG1 : rot 108:sc= 0.307 USER MOD Single : A 8 ASN : amide:sc= 0.573 K(o=0.57,f=-0.23) USER MOD Single : A 9 THR OG1 : rot 82:sc= 0.415 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 80:sc= 0.0572 USER MOD Single : A 20 ASN : amide:sc= -3.12! C(o=-3.1!,f=-9.7!) USER MOD Single : A 25 ASN : amide:sc= -0.062 X(o=-0.062,f=-0.093) USER MOD Single : A 29 MET CE :methyl -148:sc= -8.99! (180deg=-9.99!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 81:sc= 0.0187 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.109 USER MOD Single : A 85 GLN : amide:sc= -2.09! C(o=-2.1!,f=-2.7!) USER MOD Single : A 90 ASN : amide:sc= -0.449 K(o=-0.45,f=-4.4!) USER MOD Single : A 93 THR OG1 : rot -60:sc= -1.64! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 98 SER OG : rot 138:sc= -2.88! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -2.71! C(o=-2.7!,f=-7.8!) USER MOD Single : A 120 ASN : amide:sc= -0.054 X(o=-0.054,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.681 4.580 -2.931 1.00 0.00 N ATOM 2 CA MET A 1 -5.829 5.801 -3.010 1.00 0.00 C ATOM 3 C MET A 1 -4.639 5.674 -2.038 1.00 0.00 C ATOM 4 O MET A 1 -3.815 4.791 -2.173 1.00 0.00 O ATOM 5 CB MET A 1 -6.761 6.946 -2.608 1.00 0.00 C ATOM 6 CG MET A 1 -8.076 6.837 -3.386 1.00 0.00 C ATOM 7 SD MET A 1 -9.351 6.125 -2.315 1.00 0.00 S ATOM 8 CE MET A 1 -9.961 4.878 -3.475 1.00 0.00 C ATOM 0 H1 MET A 1 -6.983 4.305 -3.887 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.136 3.804 -2.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.518 4.778 -2.347 1.00 0.00 H new ATOM 0 HA MET A 1 -5.401 5.961 -4.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.957 6.909 -1.536 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.284 7.905 -2.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.387 7.821 -3.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.938 6.214 -4.270 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.913 5.205 -3.894 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.237 4.744 -4.279 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.101 3.932 -2.952 1.00 0.00 H new ATOM 20 N ASN A 2 -4.553 6.528 -1.047 1.00 0.00 N ATOM 21 CA ASN A 2 -3.428 6.429 -0.060 1.00 0.00 C ATOM 22 C ASN A 2 -3.761 5.282 0.942 1.00 0.00 C ATOM 23 O ASN A 2 -4.475 5.484 1.910 1.00 0.00 O ATOM 24 CB ASN A 2 -3.450 7.790 0.648 1.00 0.00 C ATOM 25 CG ASN A 2 -2.346 7.828 1.714 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.232 7.416 1.458 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.602 8.307 2.905 1.00 0.00 N ATOM 0 H ASN A 2 -5.211 7.289 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.456 6.213 -0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.300 8.591 -0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.423 7.956 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.868 8.333 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.535 8.654 3.125 1.00 0.00 H new ATOM 34 N LEU A 3 -3.284 4.070 0.699 1.00 0.00 N ATOM 35 CA LEU A 3 -3.625 2.928 1.641 1.00 0.00 C ATOM 36 C LEU A 3 -3.547 3.400 3.096 1.00 0.00 C ATOM 37 O LEU A 3 -4.377 3.063 3.903 1.00 0.00 O ATOM 38 CB LEU A 3 -2.577 1.812 1.389 1.00 0.00 C ATOM 39 CG LEU A 3 -3.244 0.463 1.011 1.00 0.00 C ATOM 40 CD1 LEU A 3 -4.525 0.667 0.191 1.00 0.00 C ATOM 41 CD2 LEU A 3 -2.263 -0.375 0.177 1.00 0.00 C ATOM 0 H LEU A 3 -2.687 3.823 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.637 2.565 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.904 2.121 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.968 1.678 2.283 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.504 -0.046 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.960 -0.303 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.240 1.250 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.287 1.199 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.730 -1.323 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.001 0.168 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.361 -0.565 0.759 1.00 0.00 H new ATOM 53 N THR A 4 -2.550 4.165 3.439 1.00 0.00 N ATOM 54 CA THR A 4 -2.442 4.632 4.856 1.00 0.00 C ATOM 55 C THR A 4 -3.742 5.361 5.224 1.00 0.00 C ATOM 56 O THR A 4 -4.241 5.237 6.328 1.00 0.00 O ATOM 57 CB THR A 4 -1.207 5.570 4.906 1.00 0.00 C ATOM 58 OG1 THR A 4 -0.200 5.076 4.035 1.00 0.00 O ATOM 59 CG2 THR A 4 -0.654 5.641 6.325 1.00 0.00 C ATOM 0 H THR A 4 -1.812 4.486 2.812 1.00 0.00 H new ATOM 0 HA THR A 4 -2.312 3.820 5.571 1.00 0.00 H new ATOM 0 HB THR A 4 -1.511 6.568 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.133 5.658 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.212 6.302 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.421 6.027 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.357 4.644 6.650 1.00 0.00 H new ATOM 67 N GLU A 5 -4.324 6.088 4.299 1.00 0.00 N ATOM 68 CA GLU A 5 -5.610 6.775 4.606 1.00 0.00 C ATOM 69 C GLU A 5 -6.752 5.750 4.580 1.00 0.00 C ATOM 70 O GLU A 5 -7.630 5.788 5.420 1.00 0.00 O ATOM 71 CB GLU A 5 -5.786 7.843 3.524 1.00 0.00 C ATOM 72 CG GLU A 5 -5.602 9.221 4.156 1.00 0.00 C ATOM 73 CD GLU A 5 -6.005 10.302 3.152 1.00 0.00 C ATOM 74 OE1 GLU A 5 -7.195 10.485 2.954 1.00 0.00 O ATOM 75 OE2 GLU A 5 -5.117 10.931 2.598 1.00 0.00 O ATOM 0 H GLU A 5 -3.965 6.232 3.355 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.614 7.233 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.059 7.694 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.775 7.764 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.209 9.303 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.564 9.359 4.457 1.00 0.00 H new ATOM 82 N LEU A 6 -6.751 4.804 3.660 1.00 0.00 N ATOM 83 CA LEU A 6 -7.820 3.798 3.664 1.00 0.00 C ATOM 84 C LEU A 6 -7.877 3.129 5.043 1.00 0.00 C ATOM 85 O LEU A 6 -8.927 3.026 5.645 1.00 0.00 O ATOM 86 CB LEU A 6 -7.349 2.854 2.583 1.00 0.00 C ATOM 87 CG LEU A 6 -7.415 3.589 1.248 1.00 0.00 C ATOM 88 CD1 LEU A 6 -6.890 2.685 0.138 1.00 0.00 C ATOM 89 CD2 LEU A 6 -8.868 3.977 0.962 1.00 0.00 C ATOM 0 H LEU A 6 -6.054 4.703 2.922 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.826 4.175 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.330 2.523 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.975 1.962 2.558 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.800 4.488 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.938 3.213 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.856 2.412 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.500 1.783 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.923 4.503 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.482 3.078 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.234 4.627 1.757 1.00 0.00 H new ATOM 101 N LYS A 7 -6.755 2.686 5.562 1.00 0.00 N ATOM 102 CA LYS A 7 -6.778 2.045 6.917 1.00 0.00 C ATOM 103 C LYS A 7 -7.060 3.087 8.007 1.00 0.00 C ATOM 104 O LYS A 7 -7.765 2.819 8.961 1.00 0.00 O ATOM 105 CB LYS A 7 -5.380 1.431 7.106 1.00 0.00 C ATOM 106 CG LYS A 7 -5.383 -0.006 6.582 1.00 0.00 C ATOM 107 CD LYS A 7 -4.983 -0.963 7.706 1.00 0.00 C ATOM 108 CE LYS A 7 -6.094 -1.996 7.919 1.00 0.00 C ATOM 109 NZ LYS A 7 -5.461 -3.087 8.711 1.00 0.00 N ATOM 0 H LYS A 7 -5.839 2.739 5.115 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.564 1.293 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.635 2.023 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.104 1.445 8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.373 -0.264 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.690 -0.100 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.049 -1.465 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.808 -0.406 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.940 -1.561 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.474 -2.369 6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.162 -3.833 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.664 -3.487 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.115 -2.705 9.614 1.00 0.00 H new ATOM 123 N ASN A 8 -6.507 4.259 7.888 1.00 0.00 N ATOM 124 CA ASN A 8 -6.743 5.304 8.948 1.00 0.00 C ATOM 125 C ASN A 8 -8.219 5.690 9.025 1.00 0.00 C ATOM 126 O ASN A 8 -8.697 6.179 10.028 1.00 0.00 O ATOM 127 CB ASN A 8 -5.905 6.529 8.541 1.00 0.00 C ATOM 128 CG ASN A 8 -4.550 6.482 9.250 1.00 0.00 C ATOM 129 OD1 ASN A 8 -4.292 7.264 10.145 1.00 0.00 O ATOM 130 ND2 ASN A 8 -3.665 5.594 8.888 1.00 0.00 N ATOM 0 H ASN A 8 -5.906 4.547 7.116 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.459 4.924 9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.761 6.541 7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.432 7.446 8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.759 5.557 9.355 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.879 4.937 8.138 1.00 0.00 H new ATOM 137 N THR A 9 -8.932 5.468 7.978 1.00 0.00 N ATOM 138 CA THR A 9 -10.396 5.815 7.981 1.00 0.00 C ATOM 139 C THR A 9 -11.170 4.680 8.688 1.00 0.00 C ATOM 140 O THR A 9 -10.824 3.528 8.513 1.00 0.00 O ATOM 141 CB THR A 9 -10.833 5.968 6.497 1.00 0.00 C ATOM 142 OG1 THR A 9 -10.229 7.133 5.952 1.00 0.00 O ATOM 143 CG2 THR A 9 -12.356 6.104 6.412 1.00 0.00 C ATOM 0 H THR A 9 -8.583 5.062 7.110 1.00 0.00 H new ATOM 0 HA THR A 9 -10.600 6.743 8.515 1.00 0.00 H new ATOM 0 HB THR A 9 -10.520 5.087 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.313 6.926 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.654 6.211 5.369 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.825 5.215 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.675 6.983 6.972 1.00 0.00 H new ATOM 151 N PRO A 10 -12.170 5.005 9.499 1.00 0.00 N ATOM 152 CA PRO A 10 -12.905 3.929 10.232 1.00 0.00 C ATOM 153 C PRO A 10 -13.652 2.964 9.251 1.00 0.00 C ATOM 154 O PRO A 10 -14.011 3.352 8.153 1.00 0.00 O ATOM 155 CB PRO A 10 -13.889 4.717 11.130 1.00 0.00 C ATOM 156 CG PRO A 10 -14.048 6.007 10.428 1.00 0.00 C ATOM 157 CD PRO A 10 -12.721 6.337 9.826 1.00 0.00 C ATOM 0 HA PRO A 10 -12.244 3.277 10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.841 4.197 11.233 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.491 4.855 12.135 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.815 5.936 9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.363 6.788 11.120 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.823 6.961 8.938 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.083 6.878 10.525 1.00 0.00 H new ATOM 165 N VAL A 11 -13.869 1.699 9.629 1.00 0.00 N ATOM 166 CA VAL A 11 -14.572 0.746 8.667 1.00 0.00 C ATOM 167 C VAL A 11 -15.831 1.419 8.084 1.00 0.00 C ATOM 168 O VAL A 11 -16.023 1.431 6.897 1.00 0.00 O ATOM 169 CB VAL A 11 -14.966 -0.569 9.439 1.00 0.00 C ATOM 170 CG1 VAL A 11 -16.297 -0.426 10.181 1.00 0.00 C ATOM 171 CG2 VAL A 11 -15.123 -1.717 8.438 1.00 0.00 C ATOM 0 H VAL A 11 -13.600 1.299 10.528 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.901 0.496 7.845 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.174 -0.765 10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.527 -1.357 10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -16.224 0.384 10.907 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -17.089 -0.202 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -15.396 -2.629 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -15.904 -1.469 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.181 -1.872 7.912 1.00 0.00 H new ATOM 181 N SER A 12 -16.682 1.974 8.911 1.00 0.00 N ATOM 182 CA SER A 12 -17.925 2.645 8.399 1.00 0.00 C ATOM 183 C SER A 12 -17.578 3.703 7.356 1.00 0.00 C ATOM 184 O SER A 12 -18.215 3.803 6.328 1.00 0.00 O ATOM 185 CB SER A 12 -18.561 3.292 9.627 1.00 0.00 C ATOM 186 OG SER A 12 -19.319 4.426 9.224 1.00 0.00 O ATOM 0 H SER A 12 -16.572 1.993 9.925 1.00 0.00 H new ATOM 0 HA SER A 12 -18.597 1.938 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 12 -19.203 2.575 10.138 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.789 3.590 10.336 1.00 0.00 H new ATOM 0 HG SER A 12 -19.729 4.842 10.011 1.00 0.00 H new ATOM 192 N GLU A 13 -16.572 4.494 7.603 1.00 0.00 N ATOM 193 CA GLU A 13 -16.222 5.523 6.587 1.00 0.00 C ATOM 194 C GLU A 13 -15.677 4.801 5.352 1.00 0.00 C ATOM 195 O GLU A 13 -15.811 5.273 4.240 1.00 0.00 O ATOM 196 CB GLU A 13 -15.153 6.417 7.222 1.00 0.00 C ATOM 197 CG GLU A 13 -15.830 7.518 8.044 1.00 0.00 C ATOM 198 CD GLU A 13 -15.547 8.878 7.403 1.00 0.00 C ATOM 199 OE1 GLU A 13 -14.430 9.349 7.530 1.00 0.00 O ATOM 200 OE2 GLU A 13 -16.453 9.425 6.795 1.00 0.00 O ATOM 0 H GLU A 13 -15.991 4.475 8.441 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.077 6.128 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.499 5.823 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.527 6.860 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.905 7.343 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.459 7.502 9.069 1.00 0.00 H new ATOM 207 N LEU A 14 -15.104 3.630 5.526 1.00 0.00 N ATOM 208 CA LEU A 14 -14.611 2.869 4.346 1.00 0.00 C ATOM 209 C LEU A 14 -15.828 2.366 3.541 1.00 0.00 C ATOM 210 O LEU A 14 -15.852 2.461 2.331 1.00 0.00 O ATOM 211 CB LEU A 14 -13.824 1.701 4.944 1.00 0.00 C ATOM 212 CG LEU A 14 -12.322 2.026 5.001 1.00 0.00 C ATOM 213 CD1 LEU A 14 -12.087 3.500 5.339 1.00 0.00 C ATOM 214 CD2 LEU A 14 -11.668 1.181 6.091 1.00 0.00 C ATOM 0 H LEU A 14 -14.961 3.178 6.429 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.993 3.459 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.192 1.484 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.984 0.804 4.345 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.892 1.810 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.016 3.699 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.549 4.126 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.528 3.725 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.603 1.407 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.128 1.408 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.805 0.124 5.863 1.00 0.00 H new ATOM 226 N ILE A 15 -16.860 1.846 4.203 1.00 0.00 N ATOM 227 CA ILE A 15 -18.041 1.385 3.416 1.00 0.00 C ATOM 228 C ILE A 15 -18.712 2.603 2.772 1.00 0.00 C ATOM 229 O ILE A 15 -19.143 2.530 1.652 1.00 0.00 O ATOM 230 CB ILE A 15 -19.025 0.647 4.355 1.00 0.00 C ATOM 231 CG1 ILE A 15 -18.485 -0.751 4.670 1.00 0.00 C ATOM 232 CG2 ILE A 15 -20.351 0.522 3.640 1.00 0.00 C ATOM 233 CD1 ILE A 15 -18.163 -0.854 6.161 1.00 0.00 C ATOM 0 H ILE A 15 -16.922 1.730 5.215 1.00 0.00 H new ATOM 0 HA ILE A 15 -17.731 0.696 2.631 1.00 0.00 H new ATOM 0 HB ILE A 15 -19.144 1.200 5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.221 -1.506 4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -17.590 -0.947 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.063 0.004 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -20.732 1.515 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.215 -0.044 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.779 -1.850 6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -17.412 -0.109 6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -19.068 -0.677 6.742 1.00 0.00 H new ATOM 245 N THR A 16 -18.804 3.730 3.454 1.00 0.00 N ATOM 246 CA THR A 16 -19.442 4.901 2.789 1.00 0.00 C ATOM 247 C THR A 16 -18.573 5.339 1.586 1.00 0.00 C ATOM 248 O THR A 16 -19.090 5.691 0.544 1.00 0.00 O ATOM 249 CB THR A 16 -19.574 6.012 3.862 1.00 0.00 C ATOM 250 OG1 THR A 16 -20.455 5.567 4.883 1.00 0.00 O ATOM 251 CG2 THR A 16 -20.151 7.280 3.223 1.00 0.00 C ATOM 0 H THR A 16 -18.475 3.879 4.408 1.00 0.00 H new ATOM 0 HA THR A 16 -20.431 4.667 2.394 1.00 0.00 H new ATOM 0 HB THR A 16 -18.592 6.230 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 16 -19.973 4.971 5.494 1.00 0.00 H new ATOM 0 HG21 THR A 16 -20.243 8.059 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 16 -19.487 7.622 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 16 -21.134 7.062 2.806 1.00 0.00 H new ATOM 259 N LEU A 17 -17.251 5.288 1.706 1.00 0.00 N ATOM 260 CA LEU A 17 -16.392 5.680 0.543 1.00 0.00 C ATOM 261 C LEU A 17 -16.594 4.663 -0.590 1.00 0.00 C ATOM 262 O LEU A 17 -16.631 5.023 -1.750 1.00 0.00 O ATOM 263 CB LEU A 17 -14.934 5.678 1.046 1.00 0.00 C ATOM 264 CG LEU A 17 -14.491 7.117 1.325 1.00 0.00 C ATOM 265 CD1 LEU A 17 -14.515 7.378 2.832 1.00 0.00 C ATOM 266 CD2 LEU A 17 -13.069 7.324 0.796 1.00 0.00 C ATOM 0 H LEU A 17 -16.749 4.997 2.545 1.00 0.00 H new ATOM 0 HA LEU A 17 -16.648 6.666 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.851 5.078 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.281 5.223 0.301 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.171 7.808 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.199 8.403 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.526 7.231 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.836 6.687 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.753 8.348 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.391 6.632 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.050 7.140 -0.278 1.00 0.00 H new ATOM 278 N GLY A 18 -16.761 3.397 -0.270 1.00 0.00 N ATOM 279 CA GLY A 18 -17.003 2.393 -1.379 1.00 0.00 C ATOM 280 C GLY A 18 -18.385 2.683 -1.995 1.00 0.00 C ATOM 281 O GLY A 18 -18.537 2.699 -3.201 1.00 0.00 O ATOM 0 H GLY A 18 -16.743 3.018 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.224 2.470 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.967 1.377 -0.987 1.00 0.00 H new ATOM 285 N GLU A 19 -19.397 2.949 -1.184 1.00 0.00 N ATOM 286 CA GLU A 19 -20.739 3.270 -1.753 1.00 0.00 C ATOM 287 C GLU A 19 -20.567 4.442 -2.712 1.00 0.00 C ATOM 288 O GLU A 19 -21.071 4.427 -3.818 1.00 0.00 O ATOM 289 CB GLU A 19 -21.605 3.684 -0.546 1.00 0.00 C ATOM 290 CG GLU A 19 -22.216 2.452 0.144 1.00 0.00 C ATOM 291 CD GLU A 19 -23.737 2.475 -0.024 1.00 0.00 C ATOM 292 OE1 GLU A 19 -24.187 2.690 -1.138 1.00 0.00 O ATOM 293 OE2 GLU A 19 -24.424 2.275 0.963 1.00 0.00 O ATOM 0 H GLU A 19 -19.343 2.955 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.194 2.440 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -20.998 4.241 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -22.401 4.352 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -21.806 1.539 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -21.956 2.449 1.203 1.00 0.00 H new ATOM 300 N ASN A 20 -19.853 5.464 -2.305 1.00 0.00 N ATOM 301 CA ASN A 20 -19.671 6.614 -3.239 1.00 0.00 C ATOM 302 C ASN A 20 -18.983 6.117 -4.524 1.00 0.00 C ATOM 303 O ASN A 20 -19.130 6.693 -5.584 1.00 0.00 O ATOM 304 CB ASN A 20 -18.777 7.678 -2.541 1.00 0.00 C ATOM 305 CG ASN A 20 -19.336 8.031 -1.153 1.00 0.00 C ATOM 306 OD1 ASN A 20 -18.677 7.827 -0.154 1.00 0.00 O ATOM 307 ND2 ASN A 20 -20.522 8.582 -1.048 1.00 0.00 N ATOM 0 H ASN A 20 -19.401 5.550 -1.394 1.00 0.00 H new ATOM 0 HA ASN A 20 -20.635 7.052 -3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -17.760 7.298 -2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -18.724 8.576 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -20.886 8.837 -0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -21.080 8.755 -1.884 1.00 0.00 H new ATOM 314 N MET A 21 -18.239 5.046 -4.426 1.00 0.00 N ATOM 315 CA MET A 21 -17.537 4.485 -5.625 1.00 0.00 C ATOM 316 C MET A 21 -18.298 3.271 -6.195 1.00 0.00 C ATOM 317 O MET A 21 -17.781 2.562 -7.035 1.00 0.00 O ATOM 318 CB MET A 21 -16.146 4.050 -5.116 1.00 0.00 C ATOM 319 CG MET A 21 -15.405 5.271 -4.566 1.00 0.00 C ATOM 320 SD MET A 21 -14.889 6.327 -5.940 1.00 0.00 S ATOM 321 CE MET A 21 -14.032 5.047 -6.889 1.00 0.00 C ATOM 0 H MET A 21 -18.085 4.530 -3.560 1.00 0.00 H new ATOM 0 HA MET A 21 -17.473 5.219 -6.428 1.00 0.00 H new ATOM 0 HB2 MET A 21 -16.251 3.293 -4.339 1.00 0.00 H new ATOM 0 HB3 MET A 21 -15.574 3.598 -5.926 1.00 0.00 H new ATOM 0 HG2 MET A 21 -16.051 5.828 -3.888 1.00 0.00 H new ATOM 0 HG3 MET A 21 -14.536 4.954 -3.990 1.00 0.00 H new ATOM 0 HE1 MET A 21 -13.326 5.514 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.494 4.388 -6.208 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.759 4.466 -7.456 1.00 0.00 H new ATOM 331 N GLY A 22 -19.520 3.019 -5.771 1.00 0.00 N ATOM 332 CA GLY A 22 -20.257 1.843 -6.345 1.00 0.00 C ATOM 333 C GLY A 22 -20.123 0.599 -5.442 1.00 0.00 C ATOM 334 O GLY A 22 -20.885 -0.339 -5.570 1.00 0.00 O ATOM 0 H GLY A 22 -20.027 3.561 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.311 2.095 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.868 1.617 -7.338 1.00 0.00 H new ATOM 338 N LEU A 23 -19.173 0.567 -4.534 1.00 0.00 N ATOM 339 CA LEU A 23 -19.035 -0.638 -3.652 1.00 0.00 C ATOM 340 C LEU A 23 -20.076 -0.579 -2.525 1.00 0.00 C ATOM 341 O LEU A 23 -19.924 0.152 -1.570 1.00 0.00 O ATOM 342 CB LEU A 23 -17.615 -0.579 -3.052 1.00 0.00 C ATOM 343 CG LEU A 23 -16.609 -0.481 -4.199 1.00 0.00 C ATOM 344 CD1 LEU A 23 -16.275 0.983 -4.453 1.00 0.00 C ATOM 345 CD2 LEU A 23 -15.328 -1.233 -3.844 1.00 0.00 C ATOM 0 H LEU A 23 -18.497 1.312 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.193 -1.560 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -17.519 0.281 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -17.420 -1.468 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 23 -17.047 -0.925 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -15.558 1.056 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -17.184 1.523 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -15.844 1.419 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.620 -1.155 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -14.888 -0.799 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -15.560 -2.282 -3.663 1.00 0.00 H new ATOM 357 N GLU A 24 -21.130 -1.334 -2.637 1.00 0.00 N ATOM 358 CA GLU A 24 -22.179 -1.340 -1.587 1.00 0.00 C ATOM 359 C GLU A 24 -22.221 -2.721 -0.929 1.00 0.00 C ATOM 360 O GLU A 24 -21.485 -3.621 -1.281 1.00 0.00 O ATOM 361 CB GLU A 24 -23.496 -1.064 -2.351 1.00 0.00 C ATOM 362 CG GLU A 24 -23.986 -2.372 -3.030 1.00 0.00 C ATOM 363 CD GLU A 24 -24.507 -2.052 -4.433 1.00 0.00 C ATOM 364 OE1 GLU A 24 -24.066 -1.065 -4.997 1.00 0.00 O ATOM 365 OE2 GLU A 24 -25.337 -2.802 -4.919 1.00 0.00 O ATOM 0 H GLU A 24 -21.310 -1.956 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 24 -22.004 -0.606 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -24.256 -0.692 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -23.338 -0.289 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -23.170 -3.092 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -24.774 -2.831 -2.433 1.00 0.00 H new ATOM 372 N ASN A 25 -23.098 -2.875 0.007 1.00 0.00 N ATOM 373 CA ASN A 25 -23.255 -4.199 0.715 1.00 0.00 C ATOM 374 C ASN A 25 -21.974 -4.596 1.470 1.00 0.00 C ATOM 375 O ASN A 25 -21.777 -5.745 1.815 1.00 0.00 O ATOM 376 CB ASN A 25 -23.549 -5.207 -0.413 1.00 0.00 C ATOM 377 CG ASN A 25 -25.062 -5.427 -0.523 1.00 0.00 C ATOM 378 OD1 ASN A 25 -25.642 -5.209 -1.568 1.00 0.00 O ATOM 379 ND2 ASN A 25 -25.732 -5.849 0.517 1.00 0.00 N ATOM 0 H ASN A 25 -23.729 -2.142 0.329 1.00 0.00 H new ATOM 0 HA ASN A 25 -24.044 -4.162 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -23.156 -4.835 -1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -23.047 -6.153 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -26.739 -5.995 0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -25.247 -6.033 1.396 1.00 0.00 H new ATOM 386 N LEU A 26 -21.109 -3.658 1.725 1.00 0.00 N ATOM 387 CA LEU A 26 -19.838 -3.978 2.462 1.00 0.00 C ATOM 388 C LEU A 26 -20.095 -4.166 3.975 1.00 0.00 C ATOM 389 O LEU A 26 -19.286 -4.732 4.678 1.00 0.00 O ATOM 390 CB LEU A 26 -18.892 -2.791 2.231 1.00 0.00 C ATOM 391 CG LEU A 26 -18.595 -2.668 0.724 1.00 0.00 C ATOM 392 CD1 LEU A 26 -18.915 -1.258 0.245 1.00 0.00 C ATOM 393 CD2 LEU A 26 -17.116 -2.953 0.441 1.00 0.00 C ATOM 0 H LEU A 26 -21.219 -2.680 1.458 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.411 -4.912 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.345 -1.871 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -17.965 -2.935 2.786 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.214 -3.394 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.702 -1.179 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.969 -1.044 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.303 -0.540 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.926 -2.861 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.497 -2.237 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.871 -3.964 0.768 1.00 0.00 H new ATOM 405 N ALA A 27 -21.205 -3.695 4.493 1.00 0.00 N ATOM 406 CA ALA A 27 -21.467 -3.861 5.958 1.00 0.00 C ATOM 407 C ALA A 27 -21.184 -5.302 6.366 1.00 0.00 C ATOM 408 O ALA A 27 -20.825 -5.589 7.490 1.00 0.00 O ATOM 409 CB ALA A 27 -22.949 -3.530 6.162 1.00 0.00 C ATOM 0 H ALA A 27 -21.934 -3.208 3.971 1.00 0.00 H new ATOM 0 HA ALA A 27 -20.832 -3.213 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -23.203 -3.634 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -23.141 -2.506 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -23.559 -4.215 5.573 1.00 0.00 H new ATOM 415 N ARG A 28 -21.365 -6.206 5.457 1.00 0.00 N ATOM 416 CA ARG A 28 -21.131 -7.644 5.775 1.00 0.00 C ATOM 417 C ARG A 28 -19.626 -8.009 5.761 1.00 0.00 C ATOM 418 O ARG A 28 -19.201 -8.890 6.481 1.00 0.00 O ATOM 419 CB ARG A 28 -21.885 -8.409 4.682 1.00 0.00 C ATOM 420 CG ARG A 28 -21.058 -8.436 3.394 1.00 0.00 C ATOM 421 CD ARG A 28 -21.991 -8.581 2.187 1.00 0.00 C ATOM 422 NE ARG A 28 -22.059 -10.044 1.926 1.00 0.00 N ATOM 423 CZ ARG A 28 -22.476 -10.481 0.769 1.00 0.00 C ATOM 424 NH1 ARG A 28 -22.042 -9.928 -0.331 1.00 0.00 N ATOM 425 NH2 ARG A 28 -23.328 -11.466 0.710 1.00 0.00 N ATOM 0 H ARG A 28 -21.666 -6.017 4.501 1.00 0.00 H new ATOM 0 HA ARG A 28 -21.477 -7.890 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -22.089 -9.427 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -22.849 -7.936 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -20.473 -7.520 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -20.351 -9.265 3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -22.979 -8.172 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -21.603 -8.043 1.322 1.00 0.00 H new ATOM 0 HE ARG A 28 -21.780 -10.705 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -21.378 -9.155 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -22.367 -10.269 -1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -23.670 -11.897 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -23.653 -11.806 -0.195 1.00 0.00 H new ATOM 439 N MET A 29 -18.817 -7.357 4.961 1.00 0.00 N ATOM 440 CA MET A 29 -17.375 -7.684 4.925 1.00 0.00 C ATOM 441 C MET A 29 -16.578 -6.784 5.890 1.00 0.00 C ATOM 442 O MET A 29 -17.087 -5.807 6.404 1.00 0.00 O ATOM 443 CB MET A 29 -16.986 -7.448 3.487 1.00 0.00 C ATOM 444 CG MET A 29 -16.891 -5.957 3.187 1.00 0.00 C ATOM 445 SD MET A 29 -16.807 -5.738 1.397 1.00 0.00 S ATOM 446 CE MET A 29 -15.786 -7.193 1.104 1.00 0.00 C ATOM 0 H MET A 29 -19.105 -6.609 4.331 1.00 0.00 H new ATOM 0 HA MET A 29 -17.163 -8.704 5.246 1.00 0.00 H new ATOM 0 HB2 MET A 29 -16.028 -7.926 3.282 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.720 -7.910 2.827 1.00 0.00 H new ATOM 0 HG2 MET A 29 -17.756 -5.433 3.593 1.00 0.00 H new ATOM 0 HG3 MET A 29 -16.008 -5.530 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.135 -7.014 0.248 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.179 -7.395 1.986 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.426 -8.051 0.900 1.00 0.00 H new ATOM 456 N ARG A 30 -15.343 -7.125 6.160 1.00 0.00 N ATOM 457 CA ARG A 30 -14.513 -6.315 7.121 1.00 0.00 C ATOM 458 C ARG A 30 -13.737 -5.177 6.430 1.00 0.00 C ATOM 459 O ARG A 30 -13.895 -4.905 5.260 1.00 0.00 O ATOM 460 CB ARG A 30 -13.535 -7.320 7.732 1.00 0.00 C ATOM 461 CG ARG A 30 -14.261 -8.180 8.769 1.00 0.00 C ATOM 462 CD ARG A 30 -13.412 -8.279 10.039 1.00 0.00 C ATOM 463 NE ARG A 30 -13.276 -9.740 10.297 1.00 0.00 N ATOM 464 CZ ARG A 30 -14.198 -10.370 10.975 1.00 0.00 C ATOM 465 NH1 ARG A 30 -15.435 -9.957 10.927 1.00 0.00 N ATOM 466 NH2 ARG A 30 -13.883 -11.412 11.694 1.00 0.00 N ATOM 0 H ARG A 30 -14.867 -7.932 5.757 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.149 -5.825 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.114 -7.953 6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.703 -6.794 8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.232 -7.744 9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.447 -9.175 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.438 -7.810 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.893 -7.773 10.876 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.464 -10.248 9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.680 -9.144 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.157 -10.447 11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.916 -11.735 11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.604 -11.903 12.223 1.00 0.00 H new ATOM 480 N LYS A 31 -12.895 -4.515 7.188 1.00 0.00 N ATOM 481 CA LYS A 31 -12.078 -3.380 6.652 1.00 0.00 C ATOM 482 C LYS A 31 -11.058 -3.863 5.608 1.00 0.00 C ATOM 483 O LYS A 31 -10.763 -3.176 4.660 1.00 0.00 O ATOM 484 CB LYS A 31 -11.338 -2.837 7.875 1.00 0.00 C ATOM 485 CG LYS A 31 -11.204 -1.319 7.755 1.00 0.00 C ATOM 486 CD LYS A 31 -9.875 -0.871 8.369 1.00 0.00 C ATOM 487 CE LYS A 31 -9.800 -1.334 9.826 1.00 0.00 C ATOM 488 NZ LYS A 31 -9.611 -0.087 10.617 1.00 0.00 N ATOM 0 H LYS A 31 -12.737 -4.718 8.175 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.702 -2.637 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.879 -3.094 8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.352 -3.295 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.251 -1.021 6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.035 -0.829 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.042 -1.287 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.786 0.214 8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.711 -1.855 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.973 -2.027 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.551 -0.323 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.733 0.384 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.417 0.551 10.458 1.00 0.00 H new ATOM 502 N GLN A 32 -10.501 -5.030 5.786 1.00 0.00 N ATOM 503 CA GLN A 32 -9.472 -5.518 4.787 1.00 0.00 C ATOM 504 C GLN A 32 -10.128 -5.683 3.408 1.00 0.00 C ATOM 505 O GLN A 32 -9.720 -5.083 2.433 1.00 0.00 O ATOM 506 CB GLN A 32 -8.896 -6.905 5.252 1.00 0.00 C ATOM 507 CG GLN A 32 -9.127 -7.194 6.765 1.00 0.00 C ATOM 508 CD GLN A 32 -8.399 -6.138 7.606 1.00 0.00 C ATOM 509 OE1 GLN A 32 -8.890 -5.040 7.778 1.00 0.00 O ATOM 510 NE2 GLN A 32 -7.238 -6.429 8.143 1.00 0.00 N ATOM 0 H GLN A 32 -10.700 -5.665 6.559 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.664 -4.789 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -9.358 -7.698 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.827 -6.935 5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.194 -7.181 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.761 -8.189 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.826 -7.351 7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.747 -5.733 8.705 1.00 0.00 H new ATOM 519 N ASP A 33 -11.138 -6.506 3.328 1.00 0.00 N ATOM 520 CA ASP A 33 -11.831 -6.748 2.044 1.00 0.00 C ATOM 521 C ASP A 33 -12.547 -5.463 1.590 1.00 0.00 C ATOM 522 O ASP A 33 -12.572 -5.164 0.413 1.00 0.00 O ATOM 523 CB ASP A 33 -12.785 -7.898 2.351 1.00 0.00 C ATOM 524 CG ASP A 33 -13.619 -7.570 3.588 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.190 -6.499 3.620 1.00 0.00 O ATOM 526 OD2 ASP A 33 -13.668 -8.398 4.483 1.00 0.00 O ATOM 0 H ASP A 33 -11.515 -7.029 4.119 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.168 -7.008 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.440 -8.076 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.220 -8.816 2.516 1.00 0.00 H new ATOM 531 N ILE A 34 -13.086 -4.659 2.489 1.00 0.00 N ATOM 532 CA ILE A 34 -13.713 -3.394 2.017 1.00 0.00 C ATOM 533 C ILE A 34 -12.617 -2.550 1.323 1.00 0.00 C ATOM 534 O ILE A 34 -12.850 -2.009 0.263 1.00 0.00 O ATOM 535 CB ILE A 34 -14.245 -2.693 3.290 1.00 0.00 C ATOM 536 CG1 ILE A 34 -15.712 -3.065 3.511 1.00 0.00 C ATOM 537 CG2 ILE A 34 -14.162 -1.174 3.134 1.00 0.00 C ATOM 538 CD1 ILE A 34 -15.955 -3.416 4.985 1.00 0.00 C ATOM 0 H ILE A 34 -13.115 -4.825 3.495 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.523 -3.547 1.304 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.637 -3.015 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.353 -2.234 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.979 -3.912 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.540 -0.694 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.124 -0.881 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -14.763 -0.863 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -17.003 -3.679 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.327 -4.262 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.708 -2.557 5.609 1.00 0.00 H new ATOM 550 N ILE A 35 -11.415 -2.442 1.882 1.00 0.00 N ATOM 551 CA ILE A 35 -10.362 -1.628 1.156 1.00 0.00 C ATOM 552 C ILE A 35 -10.030 -2.267 -0.184 1.00 0.00 C ATOM 553 O ILE A 35 -9.920 -1.605 -1.190 1.00 0.00 O ATOM 554 CB ILE A 35 -9.075 -1.620 1.978 1.00 0.00 C ATOM 555 CG1 ILE A 35 -9.322 -0.999 3.349 1.00 0.00 C ATOM 556 CG2 ILE A 35 -8.031 -0.788 1.234 1.00 0.00 C ATOM 557 CD1 ILE A 35 -8.095 -1.224 4.227 1.00 0.00 C ATOM 0 H ILE A 35 -11.128 -2.861 2.767 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.750 -0.620 1.012 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.727 -2.644 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.522 0.068 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.202 -1.446 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.104 -0.771 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.845 -1.229 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.399 0.230 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.264 -0.783 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.917 -2.294 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.226 -0.757 3.764 1.00 0.00 H new ATOM 569 N PHE A 36 -9.845 -3.559 -0.192 1.00 0.00 N ATOM 570 CA PHE A 36 -9.497 -4.234 -1.470 1.00 0.00 C ATOM 571 C PHE A 36 -10.548 -3.857 -2.524 1.00 0.00 C ATOM 572 O PHE A 36 -10.218 -3.589 -3.662 1.00 0.00 O ATOM 573 CB PHE A 36 -9.498 -5.728 -1.161 1.00 0.00 C ATOM 574 CG PHE A 36 -8.182 -6.119 -0.518 1.00 0.00 C ATOM 575 CD1 PHE A 36 -7.498 -5.214 0.306 1.00 0.00 C ATOM 576 CD2 PHE A 36 -7.643 -7.392 -0.750 1.00 0.00 C ATOM 577 CE1 PHE A 36 -6.281 -5.580 0.892 1.00 0.00 C ATOM 578 CE2 PHE A 36 -6.427 -7.757 -0.162 1.00 0.00 C ATOM 579 CZ PHE A 36 -5.745 -6.852 0.659 1.00 0.00 C ATOM 0 H PHE A 36 -9.919 -4.169 0.622 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.526 -3.939 -1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.326 -5.970 -0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.649 -6.298 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.911 -4.233 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.167 -8.092 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.755 -4.880 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.014 -8.739 -0.342 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.806 -7.135 1.112 1.00 0.00 H new ATOM 589 N ALA A 37 -11.816 -3.795 -2.159 1.00 0.00 N ATOM 590 CA ALA A 37 -12.840 -3.390 -3.168 1.00 0.00 C ATOM 591 C ALA A 37 -12.642 -1.911 -3.539 1.00 0.00 C ATOM 592 O ALA A 37 -12.509 -1.595 -4.692 1.00 0.00 O ATOM 593 CB ALA A 37 -14.206 -3.618 -2.508 1.00 0.00 C ATOM 0 H ALA A 37 -12.172 -4.004 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.759 -3.967 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.997 -3.337 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.311 -4.670 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.281 -3.009 -1.607 1.00 0.00 H new ATOM 599 N ILE A 38 -12.616 -0.985 -2.589 1.00 0.00 N ATOM 600 CA ILE A 38 -12.421 0.435 -3.013 1.00 0.00 C ATOM 601 C ILE A 38 -11.168 0.554 -3.885 1.00 0.00 C ATOM 602 O ILE A 38 -11.093 1.411 -4.736 1.00 0.00 O ATOM 603 CB ILE A 38 -12.300 1.323 -1.769 1.00 0.00 C ATOM 604 CG1 ILE A 38 -12.790 0.615 -0.501 1.00 0.00 C ATOM 605 CG2 ILE A 38 -13.165 2.545 -2.012 1.00 0.00 C ATOM 606 CD1 ILE A 38 -12.917 1.628 0.636 1.00 0.00 C ATOM 0 H ILE A 38 -12.717 -1.149 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.278 0.763 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.252 1.578 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.753 0.140 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.093 -0.175 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.109 3.208 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.810 3.072 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.199 2.235 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.266 1.122 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.945 2.083 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.631 2.402 0.355 1.00 0.00 H new ATOM 618 N LEU A 39 -10.188 -0.295 -3.718 1.00 0.00 N ATOM 619 CA LEU A 39 -8.988 -0.183 -4.613 1.00 0.00 C ATOM 620 C LEU A 39 -9.369 -0.638 -6.038 1.00 0.00 C ATOM 621 O LEU A 39 -9.028 0.006 -7.014 1.00 0.00 O ATOM 622 CB LEU A 39 -7.913 -1.093 -4.003 1.00 0.00 C ATOM 623 CG LEU A 39 -7.533 -0.567 -2.616 1.00 0.00 C ATOM 624 CD1 LEU A 39 -6.668 -1.600 -1.889 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.744 0.737 -2.764 1.00 0.00 C ATOM 0 H LEU A 39 -10.160 -1.042 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.620 0.840 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.285 -2.115 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.034 -1.120 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.441 -0.385 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.400 -1.221 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.226 -2.530 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.761 -1.785 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.473 1.112 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.839 0.551 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.357 1.477 -3.278 1.00 0.00 H new ATOM 637 N LYS A 40 -10.096 -1.723 -6.165 1.00 0.00 N ATOM 638 CA LYS A 40 -10.529 -2.216 -7.509 1.00 0.00 C ATOM 639 C LYS A 40 -11.489 -1.213 -8.169 1.00 0.00 C ATOM 640 O LYS A 40 -11.432 -0.979 -9.360 1.00 0.00 O ATOM 641 CB LYS A 40 -11.264 -3.520 -7.212 1.00 0.00 C ATOM 642 CG LYS A 40 -10.375 -4.703 -7.600 1.00 0.00 C ATOM 643 CD LYS A 40 -11.093 -6.015 -7.273 1.00 0.00 C ATOM 644 CE LYS A 40 -11.353 -6.793 -8.567 1.00 0.00 C ATOM 645 NZ LYS A 40 -10.154 -7.659 -8.743 1.00 0.00 N ATOM 0 H LYS A 40 -10.411 -2.295 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.689 -2.347 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.519 -3.574 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.201 -3.557 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.140 -4.661 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.428 -4.651 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.487 -6.613 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.035 -5.809 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.263 -7.389 -8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.481 -6.119 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.258 -8.224 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.304 -7.064 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.062 -8.295 -7.925 1.00 0.00 H new ATOM 659 N GLN A 41 -12.379 -0.628 -7.405 1.00 0.00 N ATOM 660 CA GLN A 41 -13.349 0.351 -8.006 1.00 0.00 C ATOM 661 C GLN A 41 -12.655 1.677 -8.320 1.00 0.00 C ATOM 662 O GLN A 41 -12.745 2.184 -9.420 1.00 0.00 O ATOM 663 CB GLN A 41 -14.448 0.563 -6.959 1.00 0.00 C ATOM 664 CG GLN A 41 -15.721 -0.142 -7.429 1.00 0.00 C ATOM 665 CD GLN A 41 -15.399 -1.595 -7.776 1.00 0.00 C ATOM 666 OE1 GLN A 41 -14.738 -2.282 -7.022 1.00 0.00 O ATOM 667 NE2 GLN A 41 -15.840 -2.097 -8.898 1.00 0.00 N ATOM 0 H GLN A 41 -12.479 -0.781 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 41 -13.757 -0.027 -8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -14.131 0.166 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.636 1.628 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -16.481 -0.103 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -16.132 0.369 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -16.395 -1.521 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.630 -3.065 -9.141 1.00 0.00 H new ATOM 676 N HIS A 42 -11.959 2.246 -7.374 1.00 0.00 N ATOM 677 CA HIS A 42 -11.263 3.552 -7.673 1.00 0.00 C ATOM 678 C HIS A 42 -10.234 3.314 -8.792 1.00 0.00 C ATOM 679 O HIS A 42 -10.022 4.159 -9.639 1.00 0.00 O ATOM 680 CB HIS A 42 -10.584 4.034 -6.363 1.00 0.00 C ATOM 681 CG HIS A 42 -10.436 5.531 -6.400 1.00 0.00 C ATOM 682 ND1 HIS A 42 -11.464 6.391 -6.038 1.00 0.00 N ATOM 683 CD2 HIS A 42 -9.385 6.336 -6.752 1.00 0.00 C ATOM 684 CE1 HIS A 42 -11.010 7.650 -6.181 1.00 0.00 C ATOM 685 NE2 HIS A 42 -9.747 7.673 -6.612 1.00 0.00 N ATOM 0 H HIS A 42 -11.837 1.884 -6.428 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.960 4.318 -8.013 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -11.181 3.737 -5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.607 3.563 -6.252 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.420 5.986 -7.088 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.596 8.533 -5.973 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -9.171 8.494 -6.799 1.00 0.00 H new ATOM 693 N ALA A 43 -9.616 2.157 -8.821 1.00 0.00 N ATOM 694 CA ALA A 43 -8.637 1.852 -9.899 1.00 0.00 C ATOM 695 C ALA A 43 -9.389 1.668 -11.221 1.00 0.00 C ATOM 696 O ALA A 43 -9.002 2.210 -12.236 1.00 0.00 O ATOM 697 CB ALA A 43 -7.941 0.554 -9.488 1.00 0.00 C ATOM 0 H ALA A 43 -9.752 1.411 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.910 2.653 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.207 0.279 -10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.439 0.698 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.680 -0.241 -9.394 1.00 0.00 H new ATOM 703 N LYS A 44 -10.478 0.934 -11.225 1.00 0.00 N ATOM 704 CA LYS A 44 -11.248 0.770 -12.483 1.00 0.00 C ATOM 705 C LYS A 44 -11.460 2.129 -13.116 1.00 0.00 C ATOM 706 O LYS A 44 -11.276 2.327 -14.301 1.00 0.00 O ATOM 707 CB LYS A 44 -12.573 0.224 -12.022 1.00 0.00 C ATOM 708 CG LYS A 44 -12.808 -1.160 -12.624 1.00 0.00 C ATOM 709 CD LYS A 44 -12.980 -2.178 -11.496 1.00 0.00 C ATOM 710 CE LYS A 44 -13.701 -3.418 -12.031 1.00 0.00 C ATOM 711 NZ LYS A 44 -13.827 -4.325 -10.857 1.00 0.00 N ATOM 0 H LYS A 44 -10.858 0.448 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.751 0.130 -13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.592 0.164 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.376 0.899 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.695 -1.148 -13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.967 -1.441 -13.258 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.007 -2.457 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.550 -1.737 -10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.679 -3.161 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.134 -3.888 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.645 -4.954 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.963 -4.896 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.962 -3.760 -9.994 1.00 0.00 H new ATOM 725 N SER A 45 -11.844 3.072 -12.312 1.00 0.00 N ATOM 726 CA SER A 45 -12.075 4.446 -12.832 1.00 0.00 C ATOM 727 C SER A 45 -10.748 5.056 -13.283 1.00 0.00 C ATOM 728 O SER A 45 -10.705 6.112 -13.885 1.00 0.00 O ATOM 729 CB SER A 45 -12.622 5.229 -11.652 1.00 0.00 C ATOM 730 OG SER A 45 -13.866 4.671 -11.249 1.00 0.00 O ATOM 0 H SER A 45 -12.009 2.953 -11.313 1.00 0.00 H new ATOM 0 HA SER A 45 -12.754 4.455 -13.684 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.914 5.202 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.752 6.276 -11.926 1.00 0.00 H new ATOM 0 HG SER A 45 -13.705 3.881 -10.691 1.00 0.00 H new ATOM 736 N GLY A 46 -9.672 4.378 -13.022 1.00 0.00 N ATOM 737 CA GLY A 46 -8.335 4.889 -13.464 1.00 0.00 C ATOM 738 C GLY A 46 -7.827 6.037 -12.567 1.00 0.00 C ATOM 739 O GLY A 46 -7.018 6.836 -12.998 1.00 0.00 O ATOM 0 H GLY A 46 -9.652 3.490 -12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.613 4.073 -13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.403 5.238 -14.494 1.00 0.00 H new ATOM 743 N GLU A 47 -8.254 6.134 -11.329 1.00 0.00 N ATOM 744 CA GLU A 47 -7.738 7.232 -10.458 1.00 0.00 C ATOM 745 C GLU A 47 -6.352 6.846 -9.934 1.00 0.00 C ATOM 746 O GLU A 47 -5.941 5.707 -10.029 1.00 0.00 O ATOM 747 CB GLU A 47 -8.721 7.323 -9.286 1.00 0.00 C ATOM 748 CG GLU A 47 -9.682 8.498 -9.485 1.00 0.00 C ATOM 749 CD GLU A 47 -10.160 8.536 -10.939 1.00 0.00 C ATOM 750 OE1 GLU A 47 -10.489 7.484 -11.460 1.00 0.00 O ATOM 751 OE2 GLU A 47 -10.185 9.617 -11.505 1.00 0.00 O ATOM 0 H GLU A 47 -8.929 5.507 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.655 8.178 -10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.285 6.394 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.173 7.448 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.536 8.399 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.184 9.434 -9.232 1.00 0.00 H new ATOM 758 N ASP A 48 -5.632 7.775 -9.378 1.00 0.00 N ATOM 759 CA ASP A 48 -4.288 7.451 -8.846 1.00 0.00 C ATOM 760 C ASP A 48 -4.415 6.990 -7.383 1.00 0.00 C ATOM 761 O ASP A 48 -5.299 7.420 -6.669 1.00 0.00 O ATOM 762 CB ASP A 48 -3.492 8.765 -8.938 1.00 0.00 C ATOM 763 CG ASP A 48 -2.883 8.895 -10.336 1.00 0.00 C ATOM 764 OD1 ASP A 48 -2.222 7.961 -10.760 1.00 0.00 O ATOM 765 OD2 ASP A 48 -3.088 9.924 -10.957 1.00 0.00 O ATOM 0 H ASP A 48 -5.919 8.748 -9.270 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.798 6.649 -9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.145 9.613 -8.734 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.705 8.780 -8.184 1.00 0.00 H new ATOM 770 N ILE A 49 -3.540 6.133 -6.920 1.00 0.00 N ATOM 771 CA ILE A 49 -3.622 5.676 -5.500 1.00 0.00 C ATOM 772 C ILE A 49 -2.217 5.375 -5.010 1.00 0.00 C ATOM 773 O ILE A 49 -1.392 4.909 -5.770 1.00 0.00 O ATOM 774 CB ILE A 49 -4.477 4.398 -5.524 1.00 0.00 C ATOM 775 CG1 ILE A 49 -3.611 3.212 -6.016 1.00 0.00 C ATOM 776 CG2 ILE A 49 -5.678 4.603 -6.456 1.00 0.00 C ATOM 777 CD1 ILE A 49 -4.445 2.207 -6.831 1.00 0.00 C ATOM 0 H ILE A 49 -2.775 5.731 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.060 6.422 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.843 4.179 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.791 3.588 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.164 2.706 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.284 3.697 -6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.281 5.436 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.324 4.821 -7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.807 1.387 -7.161 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.249 1.813 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.871 2.708 -7.700 1.00 0.00 H new ATOM 789 N PHE A 50 -1.890 5.656 -3.778 1.00 0.00 N ATOM 790 CA PHE A 50 -0.492 5.374 -3.397 1.00 0.00 C ATOM 791 C PHE A 50 -0.305 4.840 -1.965 1.00 0.00 C ATOM 792 O PHE A 50 -1.230 4.762 -1.175 1.00 0.00 O ATOM 793 CB PHE A 50 0.201 6.729 -3.643 1.00 0.00 C ATOM 794 CG PHE A 50 -0.137 7.656 -2.526 1.00 0.00 C ATOM 795 CD1 PHE A 50 -1.279 8.446 -2.612 1.00 0.00 C ATOM 796 CD2 PHE A 50 0.683 7.711 -1.402 1.00 0.00 C ATOM 797 CE1 PHE A 50 -1.613 9.303 -1.563 1.00 0.00 C ATOM 798 CE2 PHE A 50 0.359 8.568 -0.348 1.00 0.00 C ATOM 799 CZ PHE A 50 -0.793 9.365 -0.426 1.00 0.00 C ATOM 0 H PHE A 50 -2.497 6.047 -3.058 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.066 4.555 -3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.281 6.594 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.124 7.151 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.906 8.396 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.567 7.093 -1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.500 9.917 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.993 8.617 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.049 10.026 0.389 1.00 0.00 H new ATOM 809 N GLY A 51 0.918 4.426 -1.656 1.00 0.00 N ATOM 810 CA GLY A 51 1.205 3.849 -0.293 1.00 0.00 C ATOM 811 C GLY A 51 2.393 4.615 0.343 1.00 0.00 C ATOM 812 O GLY A 51 3.051 5.394 -0.323 1.00 0.00 O ATOM 0 H GLY A 51 1.719 4.464 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.323 3.929 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.443 2.789 -0.376 1.00 0.00 H new ATOM 816 N ASP A 52 2.675 4.423 1.632 1.00 0.00 N ATOM 817 CA ASP A 52 3.798 5.175 2.249 1.00 0.00 C ATOM 818 C ASP A 52 4.106 4.622 3.640 1.00 0.00 C ATOM 819 O ASP A 52 3.319 3.893 4.211 1.00 0.00 O ATOM 820 CB ASP A 52 3.257 6.617 2.379 1.00 0.00 C ATOM 821 CG ASP A 52 2.020 6.601 3.279 1.00 0.00 C ATOM 822 OD1 ASP A 52 2.174 6.348 4.462 1.00 0.00 O ATOM 823 OD2 ASP A 52 0.937 6.845 2.769 1.00 0.00 O ATOM 0 H ASP A 52 2.176 3.788 2.255 1.00 0.00 H new ATOM 0 HA ASP A 52 4.714 5.109 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.021 7.270 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.004 7.015 1.396 1.00 0.00 H new ATOM 828 N GLY A 53 5.228 4.982 4.213 1.00 0.00 N ATOM 829 CA GLY A 53 5.519 4.471 5.599 1.00 0.00 C ATOM 830 C GLY A 53 7.011 4.144 5.780 1.00 0.00 C ATOM 831 O GLY A 53 7.874 4.903 5.384 1.00 0.00 O ATOM 0 H GLY A 53 5.938 5.588 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.218 5.218 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.924 3.578 5.790 1.00 0.00 H new ATOM 835 N VAL A 54 7.320 3.014 6.390 1.00 0.00 N ATOM 836 CA VAL A 54 8.739 2.643 6.608 1.00 0.00 C ATOM 837 C VAL A 54 8.950 1.223 6.082 1.00 0.00 C ATOM 838 O VAL A 54 8.272 0.300 6.486 1.00 0.00 O ATOM 839 CB VAL A 54 8.947 2.720 8.120 1.00 0.00 C ATOM 840 CG1 VAL A 54 10.438 2.848 8.415 1.00 0.00 C ATOM 841 CG2 VAL A 54 8.227 3.951 8.666 1.00 0.00 C ATOM 0 H VAL A 54 6.639 2.341 6.742 1.00 0.00 H new ATOM 0 HA VAL A 54 9.446 3.293 6.092 1.00 0.00 H new ATOM 0 HB VAL A 54 8.550 1.820 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.592 2.903 9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.963 1.980 8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.825 3.753 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.373 4.009 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.632 4.847 8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.162 3.876 8.448 1.00 0.00 H new ATOM 851 N LEU A 55 9.829 1.046 5.123 1.00 0.00 N ATOM 852 CA LEU A 55 9.982 -0.327 4.530 1.00 0.00 C ATOM 853 C LEU A 55 10.472 -1.391 5.543 1.00 0.00 C ATOM 854 O LEU A 55 11.051 -1.084 6.568 1.00 0.00 O ATOM 855 CB LEU A 55 11.014 -0.215 3.407 1.00 0.00 C ATOM 856 CG LEU A 55 10.292 -0.175 2.059 1.00 0.00 C ATOM 857 CD1 LEU A 55 11.333 -0.109 0.956 1.00 0.00 C ATOM 858 CD2 LEU A 55 9.445 -1.443 1.872 1.00 0.00 C ATOM 0 H LEU A 55 10.433 1.769 4.732 1.00 0.00 H new ATOM 0 HA LEU A 55 9.002 -0.657 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.614 0.685 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.699 -1.062 3.441 1.00 0.00 H new ATOM 0 HG LEU A 55 9.638 0.696 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.835 -0.080 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.938 0.789 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.974 -0.989 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.936 -1.402 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.091 -2.320 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.706 -1.508 2.670 1.00 0.00 H new ATOM 870 N GLU A 56 10.264 -2.650 5.212 1.00 0.00 N ATOM 871 CA GLU A 56 10.720 -3.798 6.061 1.00 0.00 C ATOM 872 C GLU A 56 11.326 -4.871 5.106 1.00 0.00 C ATOM 873 O GLU A 56 10.617 -5.372 4.245 1.00 0.00 O ATOM 874 CB GLU A 56 9.438 -4.331 6.705 1.00 0.00 C ATOM 875 CG GLU A 56 9.215 -3.636 8.050 1.00 0.00 C ATOM 876 CD GLU A 56 10.444 -3.838 8.938 1.00 0.00 C ATOM 877 OE1 GLU A 56 11.028 -4.907 8.873 1.00 0.00 O ATOM 878 OE2 GLU A 56 10.780 -2.921 9.668 1.00 0.00 O ATOM 0 H GLU A 56 9.781 -2.933 4.360 1.00 0.00 H new ATOM 0 HA GLU A 56 11.465 -3.530 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.587 -4.154 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.512 -5.409 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.035 -2.572 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.329 -4.042 8.539 1.00 0.00 H new ATOM 885 N ILE A 57 12.613 -5.226 5.202 1.00 0.00 N ATOM 886 CA ILE A 57 13.155 -6.241 4.237 1.00 0.00 C ATOM 887 C ILE A 57 12.808 -7.660 4.729 1.00 0.00 C ATOM 888 O ILE A 57 12.491 -7.851 5.886 1.00 0.00 O ATOM 889 CB ILE A 57 14.703 -6.062 4.146 1.00 0.00 C ATOM 890 CG1 ILE A 57 15.060 -4.560 4.103 1.00 0.00 C ATOM 891 CG2 ILE A 57 15.250 -6.754 2.879 1.00 0.00 C ATOM 892 CD1 ILE A 57 15.132 -4.046 2.654 1.00 0.00 C ATOM 0 H ILE A 57 13.278 -4.864 5.886 1.00 0.00 H new ATOM 0 HA ILE A 57 12.712 -6.099 3.251 1.00 0.00 H new ATOM 0 HB ILE A 57 15.156 -6.518 5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.314 -3.990 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.018 -4.397 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.331 -6.621 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.017 -7.818 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.789 -6.313 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 57 15.385 -2.986 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 57 15.896 -4.600 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.166 -4.187 2.169 1.00 0.00 H new ATOM 904 N LEU A 58 12.880 -8.664 3.881 1.00 0.00 N ATOM 905 CA LEU A 58 12.566 -10.049 4.348 1.00 0.00 C ATOM 906 C LEU A 58 13.689 -10.996 3.925 1.00 0.00 C ATOM 907 O LEU A 58 14.193 -10.921 2.823 1.00 0.00 O ATOM 908 CB LEU A 58 11.244 -10.442 3.674 1.00 0.00 C ATOM 909 CG LEU A 58 10.091 -10.134 4.637 1.00 0.00 C ATOM 910 CD1 LEU A 58 9.856 -8.622 4.699 1.00 0.00 C ATOM 911 CD2 LEU A 58 8.812 -10.826 4.159 1.00 0.00 C ATOM 0 H LEU A 58 13.140 -8.582 2.898 1.00 0.00 H new ATOM 0 HA LEU A 58 12.478 -10.103 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.116 -9.890 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.250 -11.502 3.419 1.00 0.00 H new ATOM 0 HG LEU A 58 10.352 -10.503 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.036 -8.409 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.761 -8.127 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.604 -8.252 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.998 -10.602 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.554 -10.466 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.972 -11.904 4.125 1.00 0.00 H new ATOM 923 N GLN A 59 14.090 -11.881 4.799 1.00 0.00 N ATOM 924 CA GLN A 59 15.190 -12.832 4.443 1.00 0.00 C ATOM 925 C GLN A 59 14.978 -13.330 3.024 1.00 0.00 C ATOM 926 O GLN A 59 15.910 -13.581 2.284 1.00 0.00 O ATOM 927 CB GLN A 59 15.093 -14.004 5.431 1.00 0.00 C ATOM 928 CG GLN A 59 14.725 -13.494 6.821 1.00 0.00 C ATOM 929 CD GLN A 59 15.491 -14.287 7.881 1.00 0.00 C ATOM 930 OE1 GLN A 59 16.254 -13.728 8.642 1.00 0.00 O ATOM 931 NE2 GLN A 59 15.318 -15.578 7.962 1.00 0.00 N ATOM 0 H GLN A 59 13.708 -11.988 5.739 1.00 0.00 H new ATOM 0 HA GLN A 59 16.169 -12.356 4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.344 -14.717 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.044 -14.535 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.962 -12.433 6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.652 -13.594 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.677 -16.048 7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.824 -16.117 8.665 1.00 0.00 H new ATOM 940 N ASP A 60 13.749 -13.487 2.653 1.00 0.00 N ATOM 941 CA ASP A 60 13.435 -13.990 1.276 1.00 0.00 C ATOM 942 C ASP A 60 13.958 -13.049 0.176 1.00 0.00 C ATOM 943 O ASP A 60 13.931 -13.387 -0.990 1.00 0.00 O ATOM 944 CB ASP A 60 11.910 -14.105 1.220 1.00 0.00 C ATOM 945 CG ASP A 60 11.398 -14.759 2.506 1.00 0.00 C ATOM 946 OD1 ASP A 60 11.809 -15.873 2.785 1.00 0.00 O ATOM 947 OD2 ASP A 60 10.603 -14.135 3.188 1.00 0.00 O ATOM 0 H ASP A 60 12.937 -13.291 3.238 1.00 0.00 H new ATOM 0 HA ASP A 60 13.925 -14.946 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.465 -13.117 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.611 -14.697 0.355 1.00 0.00 H new ATOM 952 N GLY A 61 14.464 -11.896 0.519 1.00 0.00 N ATOM 953 CA GLY A 61 15.019 -10.988 -0.566 1.00 0.00 C ATOM 954 C GLY A 61 13.952 -10.013 -1.115 1.00 0.00 C ATOM 955 O GLY A 61 14.208 -9.290 -2.056 1.00 0.00 O ATOM 0 H GLY A 61 14.524 -11.537 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.858 -10.418 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.407 -11.596 -1.383 1.00 0.00 H new ATOM 959 N PHE A 62 12.784 -9.950 -0.528 1.00 0.00 N ATOM 960 CA PHE A 62 11.752 -8.993 -1.005 1.00 0.00 C ATOM 961 C PHE A 62 11.327 -8.222 0.261 1.00 0.00 C ATOM 962 O PHE A 62 11.876 -8.477 1.321 1.00 0.00 O ATOM 963 CB PHE A 62 10.627 -9.866 -1.613 1.00 0.00 C ATOM 964 CG PHE A 62 9.688 -10.332 -0.532 1.00 0.00 C ATOM 965 CD1 PHE A 62 8.748 -9.445 -0.005 1.00 0.00 C ATOM 966 CD2 PHE A 62 9.754 -11.648 -0.058 1.00 0.00 C ATOM 967 CE1 PHE A 62 7.869 -9.867 0.992 1.00 0.00 C ATOM 968 CE2 PHE A 62 8.873 -12.072 0.943 1.00 0.00 C ATOM 969 CZ PHE A 62 7.929 -11.181 1.469 1.00 0.00 C ATOM 0 H PHE A 62 12.503 -10.526 0.266 1.00 0.00 H new ATOM 0 HA PHE A 62 12.064 -8.276 -1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.077 -9.294 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.060 -10.726 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.701 -8.430 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.483 -12.334 -0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.141 -9.179 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.921 -13.087 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.249 -11.508 2.241 1.00 0.00 H new ATOM 979 N GLY A 63 10.423 -7.279 0.224 1.00 0.00 N ATOM 980 CA GLY A 63 10.126 -6.579 1.490 1.00 0.00 C ATOM 981 C GLY A 63 8.725 -5.955 1.483 1.00 0.00 C ATOM 982 O GLY A 63 8.088 -5.893 0.439 1.00 0.00 O ATOM 0 H GLY A 63 9.899 -6.977 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.207 -7.280 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.870 -5.800 1.657 1.00 0.00 H new ATOM 986 N PHE A 64 8.226 -5.433 2.602 1.00 0.00 N ATOM 987 CA PHE A 64 6.893 -4.784 2.536 1.00 0.00 C ATOM 988 C PHE A 64 6.980 -3.375 3.168 1.00 0.00 C ATOM 989 O PHE A 64 7.746 -3.147 4.104 1.00 0.00 O ATOM 990 CB PHE A 64 5.902 -5.609 3.397 1.00 0.00 C ATOM 991 CG PHE A 64 5.230 -6.741 2.632 1.00 0.00 C ATOM 992 CD1 PHE A 64 4.154 -6.470 1.774 1.00 0.00 C ATOM 993 CD2 PHE A 64 5.647 -8.067 2.820 1.00 0.00 C ATOM 994 CE1 PHE A 64 3.508 -7.516 1.099 1.00 0.00 C ATOM 995 CE2 PHE A 64 4.994 -9.113 2.149 1.00 0.00 C ATOM 996 CZ PHE A 64 3.926 -8.838 1.287 1.00 0.00 C ATOM 0 H PHE A 64 8.679 -5.436 3.516 1.00 0.00 H new ATOM 0 HA PHE A 64 6.568 -4.724 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.435 -6.025 4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.135 -4.943 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.822 -5.452 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.472 -8.284 3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.686 -7.301 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.317 -10.133 2.298 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.426 -9.643 0.769 1.00 0.00 H new ATOM 1006 N LEU A 65 6.186 -2.452 2.694 1.00 0.00 N ATOM 1007 CA LEU A 65 6.127 -1.083 3.277 1.00 0.00 C ATOM 1008 C LEU A 65 4.893 -1.043 4.202 1.00 0.00 C ATOM 1009 O LEU A 65 4.025 -1.898 4.101 1.00 0.00 O ATOM 1010 CB LEU A 65 5.908 -0.154 2.080 1.00 0.00 C ATOM 1011 CG LEU A 65 6.537 1.218 2.348 1.00 0.00 C ATOM 1012 CD1 LEU A 65 7.237 1.715 1.081 1.00 0.00 C ATOM 1013 CD2 LEU A 65 5.440 2.217 2.734 1.00 0.00 C ATOM 0 H LEU A 65 5.558 -2.597 1.903 1.00 0.00 H new ATOM 0 HA LEU A 65 7.016 -0.801 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.347 -0.594 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.841 -0.041 1.889 1.00 0.00 H new ATOM 0 HG LEU A 65 7.259 1.130 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.684 2.691 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.016 1.008 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.510 1.801 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.887 3.193 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.721 2.300 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.931 1.869 3.633 1.00 0.00 H new ATOM 1025 N ARG A 66 4.772 -0.054 5.060 1.00 0.00 N ATOM 1026 CA ARG A 66 3.575 0.035 5.948 1.00 0.00 C ATOM 1027 C ARG A 66 3.772 1.166 6.973 1.00 0.00 C ATOM 1028 O ARG A 66 4.700 1.936 6.875 1.00 0.00 O ATOM 1029 CB ARG A 66 3.479 -1.313 6.665 1.00 0.00 C ATOM 1030 CG ARG A 66 2.019 -1.769 6.686 1.00 0.00 C ATOM 1031 CD ARG A 66 1.638 -2.204 8.103 1.00 0.00 C ATOM 1032 NE ARG A 66 0.801 -3.422 7.920 1.00 0.00 N ATOM 1033 CZ ARG A 66 -0.431 -3.312 7.502 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -0.888 -2.157 7.099 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -1.209 -4.361 7.489 1.00 0.00 N ATOM 0 H ARG A 66 5.454 0.695 5.180 1.00 0.00 H new ATOM 0 HA ARG A 66 2.668 0.250 5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.096 -2.054 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.860 -1.225 7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.369 -0.958 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.875 -2.595 5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.523 -2.420 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.086 -1.420 8.622 1.00 0.00 H new ATOM 0 HE ARG A 66 1.190 -4.343 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.282 -1.337 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.851 -2.075 6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.854 -5.263 7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.172 -4.278 7.163 1.00 0.00 H new ATOM 1049 N SER A 67 2.918 1.266 7.969 1.00 0.00 N ATOM 1050 CA SER A 67 3.098 2.358 8.982 1.00 0.00 C ATOM 1051 C SER A 67 4.304 2.052 9.870 1.00 0.00 C ATOM 1052 O SER A 67 5.167 1.276 9.514 1.00 0.00 O ATOM 1053 CB SER A 67 1.812 2.374 9.809 1.00 0.00 C ATOM 1054 OG SER A 67 0.688 2.468 8.942 1.00 0.00 O ATOM 0 H SER A 67 2.119 0.651 8.122 1.00 0.00 H new ATOM 0 HA SER A 67 3.279 3.324 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.744 1.468 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.823 3.217 10.500 1.00 0.00 H new ATOM 0 HG SER A 67 -0.135 2.476 9.473 1.00 0.00 H new ATOM 1187 N ASP A 78 -0.154 -4.945 3.963 1.00 0.00 N ATOM 1188 CA ASP A 78 0.877 -3.858 3.826 1.00 0.00 C ATOM 1189 C ASP A 78 1.079 -3.539 2.337 1.00 0.00 C ATOM 1190 O ASP A 78 0.187 -3.717 1.532 1.00 0.00 O ATOM 1191 CB ASP A 78 2.181 -4.422 4.438 1.00 0.00 C ATOM 1192 CG ASP A 78 1.912 -4.930 5.860 1.00 0.00 C ATOM 1193 OD1 ASP A 78 0.790 -5.322 6.132 1.00 0.00 O ATOM 1194 OD2 ASP A 78 2.839 -4.919 6.654 1.00 0.00 O ATOM 0 HA ASP A 78 0.575 -2.940 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.563 -5.234 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.948 -3.648 4.458 1.00 0.00 H new ATOM 1199 N ILE A 79 2.258 -3.117 1.958 1.00 0.00 N ATOM 1200 CA ILE A 79 2.508 -2.847 0.490 1.00 0.00 C ATOM 1201 C ILE A 79 3.626 -3.805 -0.004 1.00 0.00 C ATOM 1202 O ILE A 79 4.673 -3.871 0.618 1.00 0.00 O ATOM 1203 CB ILE A 79 2.946 -1.367 0.354 1.00 0.00 C ATOM 1204 CG1 ILE A 79 1.699 -0.467 0.346 1.00 0.00 C ATOM 1205 CG2 ILE A 79 3.698 -1.168 -0.969 1.00 0.00 C ATOM 1206 CD1 ILE A 79 1.378 0.026 1.760 1.00 0.00 C ATOM 0 H ILE A 79 3.050 -2.947 2.578 1.00 0.00 H new ATOM 0 HA ILE A 79 1.615 -3.017 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 79 3.594 -1.109 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.864 0.385 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.848 -1.019 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.004 -0.126 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.580 -1.808 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.045 -1.429 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.492 0.661 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.191 -0.829 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.222 0.597 2.146 1.00 0.00 H new ATOM 1218 N TYR A 80 3.449 -4.569 -1.081 1.00 0.00 N ATOM 1219 CA TYR A 80 4.571 -5.505 -1.481 1.00 0.00 C ATOM 1220 C TYR A 80 5.742 -4.699 -2.106 1.00 0.00 C ATOM 1221 O TYR A 80 5.515 -3.698 -2.759 1.00 0.00 O ATOM 1222 CB TYR A 80 3.982 -6.513 -2.503 1.00 0.00 C ATOM 1223 CG TYR A 80 5.047 -7.442 -3.047 1.00 0.00 C ATOM 1224 CD1 TYR A 80 6.119 -7.850 -2.245 1.00 0.00 C ATOM 1225 CD2 TYR A 80 4.952 -7.906 -4.370 1.00 0.00 C ATOM 1226 CE1 TYR A 80 7.092 -8.714 -2.762 1.00 0.00 C ATOM 1227 CE2 TYR A 80 5.924 -8.767 -4.884 1.00 0.00 C ATOM 1228 CZ TYR A 80 6.995 -9.171 -4.081 1.00 0.00 C ATOM 1229 OH TYR A 80 7.956 -10.021 -4.588 1.00 0.00 O ATOM 0 H TYR A 80 2.618 -4.585 -1.672 1.00 0.00 H new ATOM 0 HA TYR A 80 4.969 -6.034 -0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.197 -7.099 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.518 -5.969 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.196 -7.498 -1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.125 -7.596 -4.991 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.919 -9.028 -2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.848 -9.121 -5.902 1.00 0.00 H new ATOM 0 HH TYR A 80 7.738 -10.244 -5.517 1.00 0.00 H new ATOM 1239 N VAL A 81 6.988 -5.105 -1.916 1.00 0.00 N ATOM 1240 CA VAL A 81 8.129 -4.333 -2.504 1.00 0.00 C ATOM 1241 C VAL A 81 9.216 -5.295 -3.047 1.00 0.00 C ATOM 1242 O VAL A 81 9.865 -5.987 -2.290 1.00 0.00 O ATOM 1243 CB VAL A 81 8.700 -3.479 -1.359 1.00 0.00 C ATOM 1244 CG1 VAL A 81 10.070 -2.947 -1.763 1.00 0.00 C ATOM 1245 CG2 VAL A 81 7.758 -2.309 -1.114 1.00 0.00 C ATOM 0 H VAL A 81 7.254 -5.932 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 81 7.799 -3.716 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 81 8.797 -4.079 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.478 -2.341 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.740 -3.783 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.973 -2.336 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.147 -1.692 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.678 -1.710 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.773 -2.686 -0.841 1.00 0.00 H new ATOM 1255 N SER A 82 9.414 -5.359 -4.348 1.00 0.00 N ATOM 1256 CA SER A 82 10.458 -6.297 -4.913 1.00 0.00 C ATOM 1257 C SER A 82 11.887 -5.775 -4.685 1.00 0.00 C ATOM 1258 O SER A 82 12.097 -4.623 -4.359 1.00 0.00 O ATOM 1259 CB SER A 82 10.157 -6.376 -6.430 1.00 0.00 C ATOM 1260 OG SER A 82 8.927 -7.063 -6.627 1.00 0.00 O ATOM 0 H SER A 82 8.905 -4.810 -5.041 1.00 0.00 H new ATOM 0 HA SER A 82 10.410 -7.269 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.100 -5.374 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.964 -6.895 -6.947 1.00 0.00 H new ATOM 0 HG SER A 82 8.731 -7.114 -7.586 1.00 0.00 H new ATOM 1266 N PRO A 83 12.828 -6.671 -4.890 1.00 0.00 N ATOM 1267 CA PRO A 83 14.263 -6.332 -4.735 1.00 0.00 C ATOM 1268 C PRO A 83 14.655 -5.307 -5.792 1.00 0.00 C ATOM 1269 O PRO A 83 15.215 -4.273 -5.489 1.00 0.00 O ATOM 1270 CB PRO A 83 14.975 -7.668 -4.950 1.00 0.00 C ATOM 1271 CG PRO A 83 14.015 -8.473 -5.761 1.00 0.00 C ATOM 1272 CD PRO A 83 12.643 -8.072 -5.290 1.00 0.00 C ATOM 0 HA PRO A 83 14.515 -5.891 -3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.922 -7.534 -5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.200 -8.155 -4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.137 -8.272 -6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.181 -9.541 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.900 -8.171 -6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.306 -8.689 -4.457 1.00 0.00 H new ATOM 1280 N SER A 84 14.333 -5.565 -7.032 1.00 0.00 N ATOM 1281 CA SER A 84 14.659 -4.572 -8.088 1.00 0.00 C ATOM 1282 C SER A 84 14.197 -3.203 -7.594 1.00 0.00 C ATOM 1283 O SER A 84 14.869 -2.206 -7.755 1.00 0.00 O ATOM 1284 CB SER A 84 13.859 -5.009 -9.315 1.00 0.00 C ATOM 1285 OG SER A 84 12.716 -5.743 -8.895 1.00 0.00 O ATOM 0 H SER A 84 13.864 -6.412 -7.354 1.00 0.00 H new ATOM 0 HA SER A 84 15.722 -4.513 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.553 -4.137 -9.893 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.479 -5.623 -9.968 1.00 0.00 H new ATOM 0 HG SER A 84 12.200 -6.023 -9.680 1.00 0.00 H new ATOM 1291 N GLN A 85 13.058 -3.165 -6.953 1.00 0.00 N ATOM 1292 CA GLN A 85 12.560 -1.849 -6.405 1.00 0.00 C ATOM 1293 C GLN A 85 13.550 -1.354 -5.336 1.00 0.00 C ATOM 1294 O GLN A 85 14.124 -0.291 -5.458 1.00 0.00 O ATOM 1295 CB GLN A 85 11.173 -2.093 -5.775 1.00 0.00 C ATOM 1296 CG GLN A 85 10.087 -2.166 -6.863 1.00 0.00 C ATOM 1297 CD GLN A 85 10.293 -1.046 -7.888 1.00 0.00 C ATOM 1298 OE1 GLN A 85 11.111 -1.165 -8.779 1.00 0.00 O ATOM 1299 NE2 GLN A 85 9.576 0.041 -7.801 1.00 0.00 N ATOM 0 H GLN A 85 12.453 -3.969 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 85 12.481 -1.098 -7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.186 -3.021 -5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.940 -1.291 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.123 -3.136 -7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.100 -2.077 -6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.890 0.141 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.702 0.791 -8.481 1.00 0.00 H new ATOM 1308 N ILE A 86 13.772 -2.130 -4.298 1.00 0.00 N ATOM 1309 CA ILE A 86 14.754 -1.696 -3.240 1.00 0.00 C ATOM 1310 C ILE A 86 16.102 -1.450 -3.896 1.00 0.00 C ATOM 1311 O ILE A 86 16.703 -0.399 -3.751 1.00 0.00 O ATOM 1312 CB ILE A 86 14.915 -2.850 -2.218 1.00 0.00 C ATOM 1313 CG1 ILE A 86 13.714 -3.808 -2.240 1.00 0.00 C ATOM 1314 CG2 ILE A 86 15.043 -2.259 -0.823 1.00 0.00 C ATOM 1315 CD1 ILE A 86 13.766 -4.760 -1.034 1.00 0.00 C ATOM 0 H ILE A 86 13.325 -3.032 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 86 14.401 -0.791 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 86 15.806 -3.417 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 86 12.785 -3.238 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.716 -4.383 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 86 15.157 -3.063 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 86 15.916 -1.607 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 86 14.148 -1.682 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.909 -5.432 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 86 14.686 -5.343 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 86 13.740 -4.180 -0.111 1.00 0.00 H new ATOM 1327 N ARG A 87 16.580 -2.432 -4.597 1.00 0.00 N ATOM 1328 CA ARG A 87 17.898 -2.312 -5.278 1.00 0.00 C ATOM 1329 C ARG A 87 17.930 -1.111 -6.210 1.00 0.00 C ATOM 1330 O ARG A 87 18.900 -0.383 -6.287 1.00 0.00 O ATOM 1331 CB ARG A 87 18.007 -3.587 -6.103 1.00 0.00 C ATOM 1332 CG ARG A 87 19.437 -4.127 -6.032 1.00 0.00 C ATOM 1333 CD ARG A 87 19.520 -5.220 -4.963 1.00 0.00 C ATOM 1334 NE ARG A 87 19.961 -4.516 -3.728 1.00 0.00 N ATOM 1335 CZ ARG A 87 20.098 -5.178 -2.612 1.00 0.00 C ATOM 1336 NH1 ARG A 87 19.582 -6.370 -2.491 1.00 0.00 N ATOM 1337 NH2 ARG A 87 20.755 -4.648 -1.616 1.00 0.00 N ATOM 0 H ARG A 87 16.109 -3.327 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 87 18.711 -2.181 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.307 -4.334 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 87 17.735 -3.385 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.734 -4.529 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 87 20.130 -3.320 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 87 18.555 -5.705 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.228 -5.998 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 87 20.156 -3.515 -3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 87 19.071 -6.786 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 87 19.690 -6.886 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 87 21.161 -3.717 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.862 -5.165 -0.743 1.00 0.00 H new ATOM 1351 N ARG A 88 16.886 -0.939 -6.946 1.00 0.00 N ATOM 1352 CA ARG A 88 16.848 0.194 -7.938 1.00 0.00 C ATOM 1353 C ARG A 88 17.052 1.549 -7.258 1.00 0.00 C ATOM 1354 O ARG A 88 17.679 2.426 -7.817 1.00 0.00 O ATOM 1355 CB ARG A 88 15.478 0.161 -8.655 1.00 0.00 C ATOM 1356 CG ARG A 88 15.528 -0.850 -9.803 1.00 0.00 C ATOM 1357 CD ARG A 88 15.552 -0.102 -11.139 1.00 0.00 C ATOM 1358 NE ARG A 88 14.167 -0.221 -11.670 1.00 0.00 N ATOM 1359 CZ ARG A 88 13.956 -0.185 -12.958 1.00 0.00 C ATOM 1360 NH1 ARG A 88 13.945 0.958 -13.587 1.00 0.00 N ATOM 1361 NH2 ARG A 88 13.758 -1.294 -13.617 1.00 0.00 N ATOM 0 H ARG A 88 16.050 -1.522 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 88 17.661 0.068 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.693 -0.112 -7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.232 1.151 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.413 -1.479 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.662 -1.510 -9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.834 0.942 -11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.277 -0.541 -11.824 1.00 0.00 H new ATOM 0 HE ARG A 88 13.382 -0.331 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.101 1.825 -13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.780 0.985 -14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.768 -2.188 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.593 -1.267 -14.623 1.00 0.00 H new ATOM 1375 N PHE A 89 16.539 1.758 -6.074 1.00 0.00 N ATOM 1376 CA PHE A 89 16.761 3.108 -5.454 1.00 0.00 C ATOM 1377 C PHE A 89 17.650 3.013 -4.201 1.00 0.00 C ATOM 1378 O PHE A 89 17.753 3.958 -3.446 1.00 0.00 O ATOM 1379 CB PHE A 89 15.357 3.691 -5.135 1.00 0.00 C ATOM 1380 CG PHE A 89 14.411 3.326 -6.260 1.00 0.00 C ATOM 1381 CD1 PHE A 89 14.624 3.850 -7.541 1.00 0.00 C ATOM 1382 CD2 PHE A 89 13.335 2.461 -6.029 1.00 0.00 C ATOM 1383 CE1 PHE A 89 13.760 3.512 -8.590 1.00 0.00 C ATOM 1384 CE2 PHE A 89 12.472 2.121 -7.080 1.00 0.00 C ATOM 1385 CZ PHE A 89 12.685 2.647 -8.360 1.00 0.00 C ATOM 0 H PHE A 89 15.999 1.089 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 89 17.295 3.768 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 89 14.989 3.294 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 89 15.414 4.774 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 89 15.455 4.516 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.170 2.056 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 89 13.924 3.919 -9.577 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.642 1.453 -6.902 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.020 2.385 -9.169 1.00 0.00 H new ATOM 1395 N ASN A 90 18.320 1.899 -3.973 1.00 0.00 N ATOM 1396 CA ASN A 90 19.202 1.812 -2.783 1.00 0.00 C ATOM 1397 C ASN A 90 18.385 2.058 -1.522 1.00 0.00 C ATOM 1398 O ASN A 90 18.688 2.924 -0.726 1.00 0.00 O ATOM 1399 CB ASN A 90 20.253 2.923 -2.984 1.00 0.00 C ATOM 1400 CG ASN A 90 21.643 2.376 -2.645 1.00 0.00 C ATOM 1401 OD1 ASN A 90 22.044 2.380 -1.498 1.00 0.00 O ATOM 1402 ND2 ASN A 90 22.403 1.902 -3.599 1.00 0.00 N ATOM 0 H ASN A 90 18.287 1.064 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 90 19.670 0.833 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.231 3.277 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.021 3.777 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 90 23.330 1.537 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.069 1.898 -4.563 1.00 0.00 H new ATOM 1409 N LEU A 91 17.345 1.300 -1.340 1.00 0.00 N ATOM 1410 CA LEU A 91 16.497 1.492 -0.123 1.00 0.00 C ATOM 1411 C LEU A 91 17.028 0.631 1.025 1.00 0.00 C ATOM 1412 O LEU A 91 17.998 -0.084 0.876 1.00 0.00 O ATOM 1413 CB LEU A 91 15.090 1.020 -0.539 1.00 0.00 C ATOM 1414 CG LEU A 91 14.324 2.104 -1.333 1.00 0.00 C ATOM 1415 CD1 LEU A 91 15.175 3.357 -1.559 1.00 0.00 C ATOM 1416 CD2 LEU A 91 13.915 1.533 -2.691 1.00 0.00 C ATOM 0 H LEU A 91 17.042 0.559 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 91 16.496 2.526 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.175 0.119 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.520 0.752 0.351 1.00 0.00 H new ATOM 0 HG LEU A 91 13.449 2.390 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.598 4.092 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.463 3.780 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.070 3.092 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.374 2.292 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.806 1.235 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.273 0.665 -2.542 1.00 0.00 H new ATOM 1428 N ARG A 92 16.386 0.673 2.164 1.00 0.00 N ATOM 1429 CA ARG A 92 16.850 -0.166 3.307 1.00 0.00 C ATOM 1430 C ARG A 92 15.664 -0.432 4.251 1.00 0.00 C ATOM 1431 O ARG A 92 14.698 0.326 4.284 1.00 0.00 O ATOM 1432 CB ARG A 92 17.927 0.657 4.030 1.00 0.00 C ATOM 1433 CG ARG A 92 18.995 1.098 3.024 1.00 0.00 C ATOM 1434 CD ARG A 92 20.187 1.700 3.771 1.00 0.00 C ATOM 1435 NE ARG A 92 20.539 2.929 3.008 1.00 0.00 N ATOM 1436 CZ ARG A 92 21.606 2.947 2.257 1.00 0.00 C ATOM 1437 NH1 ARG A 92 21.630 2.272 1.140 1.00 0.00 N ATOM 1438 NH2 ARG A 92 22.647 3.645 2.619 1.00 0.00 N ATOM 0 H ARG A 92 15.565 1.249 2.351 1.00 0.00 H new ATOM 0 HA ARG A 92 17.245 -1.127 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.476 1.529 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.382 0.063 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.320 0.246 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.578 1.831 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.927 1.937 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.024 1.003 3.805 1.00 0.00 H new ATOM 0 HE ARG A 92 19.946 3.757 3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.815 1.730 0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.464 2.286 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.627 4.177 3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.481 3.659 2.032 1.00 0.00 H new ATOM 1452 N THR A 93 15.714 -1.460 5.055 1.00 0.00 N ATOM 1453 CA THR A 93 14.547 -1.673 5.966 1.00 0.00 C ATOM 1454 C THR A 93 14.484 -0.473 6.906 1.00 0.00 C ATOM 1455 O THR A 93 15.483 0.177 7.137 1.00 0.00 O ATOM 1456 CB THR A 93 14.750 -2.983 6.805 1.00 0.00 C ATOM 1457 OG1 THR A 93 13.478 -3.433 7.249 1.00 0.00 O ATOM 1458 CG2 THR A 93 15.617 -2.681 8.034 1.00 0.00 C ATOM 0 H THR A 93 16.475 -2.136 5.123 1.00 0.00 H new ATOM 0 HA THR A 93 13.626 -1.773 5.391 1.00 0.00 H new ATOM 0 HB THR A 93 15.237 -3.741 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.062 -2.742 7.805 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.756 -3.593 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 93 16.588 -2.305 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.124 -1.930 8.651 1.00 0.00 H new ATOM 1466 N GLY A 94 13.354 -0.163 7.468 1.00 0.00 N ATOM 1467 CA GLY A 94 13.356 1.018 8.401 1.00 0.00 C ATOM 1468 C GLY A 94 13.391 2.334 7.596 1.00 0.00 C ATOM 1469 O GLY A 94 13.230 3.399 8.160 1.00 0.00 O ATOM 0 H GLY A 94 12.463 -0.642 7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.468 0.993 9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.220 0.966 9.064 1.00 0.00 H new ATOM 1473 N ASP A 95 13.620 2.297 6.293 1.00 0.00 N ATOM 1474 CA ASP A 95 13.676 3.575 5.531 1.00 0.00 C ATOM 1475 C ASP A 95 12.278 4.211 5.427 1.00 0.00 C ATOM 1476 O ASP A 95 11.275 3.524 5.335 1.00 0.00 O ATOM 1477 CB ASP A 95 14.194 3.193 4.138 1.00 0.00 C ATOM 1478 CG ASP A 95 15.724 3.209 4.140 1.00 0.00 C ATOM 1479 OD1 ASP A 95 16.294 3.400 5.201 1.00 0.00 O ATOM 1480 OD2 ASP A 95 16.300 3.032 3.079 1.00 0.00 O ATOM 0 H ASP A 95 13.766 1.450 5.745 1.00 0.00 H new ATOM 0 HA ASP A 95 14.318 4.308 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.831 2.203 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.813 3.891 3.393 1.00 0.00 H new ATOM 1485 N THR A 96 12.226 5.523 5.420 1.00 0.00 N ATOM 1486 CA THR A 96 10.934 6.253 5.306 1.00 0.00 C ATOM 1487 C THR A 96 10.643 6.489 3.812 1.00 0.00 C ATOM 1488 O THR A 96 11.456 7.086 3.129 1.00 0.00 O ATOM 1489 CB THR A 96 11.169 7.595 6.029 1.00 0.00 C ATOM 1490 OG1 THR A 96 12.392 7.536 6.749 1.00 0.00 O ATOM 1491 CG2 THR A 96 10.021 7.873 7.002 1.00 0.00 C ATOM 0 H THR A 96 13.046 6.126 5.490 1.00 0.00 H new ATOM 0 HA THR A 96 10.091 5.713 5.737 1.00 0.00 H new ATOM 0 HB THR A 96 11.215 8.395 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.543 8.389 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.195 8.822 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.081 7.922 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.968 7.073 7.740 1.00 0.00 H new ATOM 1499 N ILE A 97 9.539 6.020 3.257 1.00 0.00 N ATOM 1500 CA ILE A 97 9.347 6.251 1.797 1.00 0.00 C ATOM 1501 C ILE A 97 7.875 6.469 1.415 1.00 0.00 C ATOM 1502 O ILE A 97 6.964 6.231 2.190 1.00 0.00 O ATOM 1503 CB ILE A 97 9.885 4.967 1.116 1.00 0.00 C ATOM 1504 CG1 ILE A 97 11.122 4.447 1.878 1.00 0.00 C ATOM 1505 CG2 ILE A 97 10.247 5.238 -0.346 1.00 0.00 C ATOM 1506 CD1 ILE A 97 11.896 3.459 0.991 1.00 0.00 C ATOM 0 H ILE A 97 8.797 5.510 3.736 1.00 0.00 H new ATOM 0 HA ILE A 97 9.866 7.157 1.483 1.00 0.00 H new ATOM 0 HB ILE A 97 9.102 4.209 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.766 5.281 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.813 3.957 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.622 4.323 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.361 5.576 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 97 11.016 6.009 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.769 3.093 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.251 2.619 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.218 3.963 0.080 1.00 0.00 H new ATOM 1518 N SER A 98 7.659 6.913 0.180 1.00 0.00 N ATOM 1519 CA SER A 98 6.278 7.138 -0.306 1.00 0.00 C ATOM 1520 C SER A 98 6.227 6.869 -1.812 1.00 0.00 C ATOM 1521 O SER A 98 7.135 7.264 -2.536 1.00 0.00 O ATOM 1522 CB SER A 98 5.951 8.625 -0.002 1.00 0.00 C ATOM 1523 OG SER A 98 6.822 9.444 -0.766 1.00 0.00 O ATOM 0 H SER A 98 8.393 7.123 -0.496 1.00 0.00 H new ATOM 0 HA SER A 98 5.557 6.478 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.912 8.843 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.074 8.830 1.061 1.00 0.00 H new ATOM 0 HG SER A 98 6.319 10.197 -1.140 1.00 0.00 H new ATOM 1529 N GLY A 99 5.189 6.189 -2.308 1.00 0.00 N ATOM 1530 CA GLY A 99 5.187 5.922 -3.790 1.00 0.00 C ATOM 1531 C GLY A 99 3.799 5.537 -4.375 1.00 0.00 C ATOM 1532 O GLY A 99 2.839 5.370 -3.656 1.00 0.00 O ATOM 0 H GLY A 99 4.394 5.831 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.551 6.810 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.892 5.118 -4.002 1.00 0.00 H new ATOM 1536 N LYS A 100 3.717 5.364 -5.715 1.00 0.00 N ATOM 1537 CA LYS A 100 2.423 4.972 -6.357 1.00 0.00 C ATOM 1538 C LYS A 100 2.371 3.432 -6.361 1.00 0.00 C ATOM 1539 O LYS A 100 3.425 2.809 -6.288 1.00 0.00 O ATOM 1540 CB LYS A 100 2.413 5.567 -7.785 1.00 0.00 C ATOM 1541 CG LYS A 100 2.730 4.491 -8.831 1.00 0.00 C ATOM 1542 CD LYS A 100 2.703 5.110 -10.229 1.00 0.00 C ATOM 1543 CE LYS A 100 1.318 5.706 -10.502 1.00 0.00 C ATOM 1544 NZ LYS A 100 1.253 5.864 -11.982 1.00 0.00 N ATOM 0 H LYS A 100 4.498 5.483 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 100 1.546 5.347 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.437 6.005 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.145 6.372 -7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.710 4.056 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.003 3.682 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.465 5.885 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.938 4.353 -10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.527 5.049 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.194 6.664 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.332 6.268 -12.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.014 6.499 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.368 4.935 -12.436 1.00 0.00 H new ATOM 1558 N ILE A 101 1.200 2.797 -6.428 1.00 0.00 N ATOM 1559 CA ILE A 101 1.183 1.291 -6.360 1.00 0.00 C ATOM 1560 C ILE A 101 0.448 0.625 -7.550 1.00 0.00 C ATOM 1561 O ILE A 101 -0.401 1.234 -8.170 1.00 0.00 O ATOM 1562 CB ILE A 101 0.450 0.989 -5.024 1.00 0.00 C ATOM 1563 CG1 ILE A 101 -0.709 1.991 -4.827 1.00 0.00 C ATOM 1564 CG2 ILE A 101 1.438 1.112 -3.855 1.00 0.00 C ATOM 1565 CD1 ILE A 101 -1.400 1.778 -3.473 1.00 0.00 C ATOM 0 H ILE A 101 0.289 3.246 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 101 2.194 0.886 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 101 0.049 -0.024 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.327 3.010 -4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.435 1.875 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.922 0.900 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.252 0.400 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.842 2.124 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.212 2.497 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.803 0.766 -3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.677 1.919 -2.669 1.00 0.00 H new ATOM 1577 N ARG A 102 0.754 -0.639 -7.875 1.00 0.00 N ATOM 1578 CA ARG A 102 0.051 -1.307 -9.004 1.00 0.00 C ATOM 1579 C ARG A 102 0.069 -2.829 -8.791 1.00 0.00 C ATOM 1580 O ARG A 102 0.759 -3.328 -7.922 1.00 0.00 O ATOM 1581 CB ARG A 102 0.844 -0.924 -10.255 1.00 0.00 C ATOM 1582 CG ARG A 102 0.008 0.027 -11.114 1.00 0.00 C ATOM 1583 CD ARG A 102 -0.097 -0.528 -12.536 1.00 0.00 C ATOM 1584 NE ARG A 102 0.216 0.627 -13.423 1.00 0.00 N ATOM 1585 CZ ARG A 102 1.177 0.535 -14.301 1.00 0.00 C ATOM 1586 NH1 ARG A 102 1.241 -0.501 -15.092 1.00 0.00 N ATOM 1587 NH2 ARG A 102 2.073 1.478 -14.390 1.00 0.00 N ATOM 0 H ARG A 102 1.454 -1.209 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.993 -1.004 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.782 -0.447 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.100 -1.817 -10.825 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.987 0.144 -10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.466 1.016 -11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.604 -1.348 -12.693 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.095 -0.919 -12.735 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.321 1.490 -13.344 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.540 -1.239 -15.024 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.992 -0.573 -15.778 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.023 2.289 -13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.824 1.405 -15.077 1.00 0.00 H new ATOM 1688 N ARG A 109 -1.904 -11.150 -4.819 1.00 0.00 N ATOM 1689 CA ARG A 109 -2.377 -11.307 -3.407 1.00 0.00 C ATOM 1690 C ARG A 109 -2.233 -9.961 -2.664 1.00 0.00 C ATOM 1691 O ARG A 109 -3.210 -9.400 -2.206 1.00 0.00 O ATOM 1692 CB ARG A 109 -1.504 -12.420 -2.785 1.00 0.00 C ATOM 1693 CG ARG A 109 -1.973 -12.694 -1.356 1.00 0.00 C ATOM 1694 CD ARG A 109 -2.697 -14.042 -1.301 1.00 0.00 C ATOM 1695 NE ARG A 109 -1.785 -15.003 -1.983 1.00 0.00 N ATOM 1696 CZ ARG A 109 -0.558 -15.151 -1.563 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -0.330 -15.629 -0.372 1.00 0.00 N ATOM 1698 NH2 ARG A 109 0.441 -14.822 -2.336 1.00 0.00 N ATOM 0 HA ARG A 109 -3.429 -11.584 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.573 -13.329 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.457 -12.118 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.120 -12.700 -0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -2.639 -11.898 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.889 -14.344 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.663 -13.991 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.120 -15.546 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.110 -15.887 0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 109 0.629 -15.745 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.263 -14.449 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.400 -14.938 -2.007 1.00 0.00 H new ATOM 1712 N TYR A 110 -1.046 -9.403 -2.590 1.00 0.00 N ATOM 1713 CA TYR A 110 -0.905 -8.046 -1.929 1.00 0.00 C ATOM 1714 C TYR A 110 -0.632 -7.014 -3.052 1.00 0.00 C ATOM 1715 O TYR A 110 -0.070 -7.375 -4.066 1.00 0.00 O ATOM 1716 CB TYR A 110 0.312 -8.098 -0.939 1.00 0.00 C ATOM 1717 CG TYR A 110 0.255 -9.339 -0.059 1.00 0.00 C ATOM 1718 CD1 TYR A 110 -0.852 -9.566 0.772 1.00 0.00 C ATOM 1719 CD2 TYR A 110 1.319 -10.257 -0.064 1.00 0.00 C ATOM 1720 CE1 TYR A 110 -0.897 -10.704 1.588 1.00 0.00 C ATOM 1721 CE2 TYR A 110 1.270 -11.394 0.755 1.00 0.00 C ATOM 1722 CZ TYR A 110 0.163 -11.617 1.577 1.00 0.00 C ATOM 1723 OH TYR A 110 0.117 -12.735 2.385 1.00 0.00 O ATOM 0 H TYR A 110 -0.182 -9.810 -2.947 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.803 -7.772 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.244 -8.093 -1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.313 -7.205 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.671 -8.862 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.175 -10.087 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.751 -10.877 2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.089 -12.098 0.750 1.00 0.00 H new ATOM 0 HH TYR A 110 0.931 -13.265 2.256 1.00 0.00 H new ATOM 1733 N PHE A 111 -0.983 -5.743 -2.924 1.00 0.00 N ATOM 1734 CA PHE A 111 -0.657 -4.817 -4.068 1.00 0.00 C ATOM 1735 C PHE A 111 0.875 -4.677 -4.154 1.00 0.00 C ATOM 1736 O PHE A 111 1.579 -5.100 -3.251 1.00 0.00 O ATOM 1737 CB PHE A 111 -1.310 -3.461 -3.732 1.00 0.00 C ATOM 1738 CG PHE A 111 -2.787 -3.528 -4.030 1.00 0.00 C ATOM 1739 CD1 PHE A 111 -3.670 -4.026 -3.068 1.00 0.00 C ATOM 1740 CD2 PHE A 111 -3.275 -3.093 -5.270 1.00 0.00 C ATOM 1741 CE1 PHE A 111 -5.041 -4.090 -3.339 1.00 0.00 C ATOM 1742 CE2 PHE A 111 -4.646 -3.158 -5.543 1.00 0.00 C ATOM 1743 CZ PHE A 111 -5.529 -3.657 -4.578 1.00 0.00 C ATOM 0 H PHE A 111 -1.456 -5.326 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 111 -1.025 -5.187 -5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.151 -3.219 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.846 -2.667 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.293 -4.362 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.593 -2.708 -6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.722 -4.473 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.023 -2.823 -6.498 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.587 -3.708 -4.789 1.00 0.00 H new ATOM 1753 N ALA A 112 1.427 -4.110 -5.211 1.00 0.00 N ATOM 1754 CA ALA A 112 2.916 -4.023 -5.255 1.00 0.00 C ATOM 1755 C ALA A 112 3.377 -2.559 -5.414 1.00 0.00 C ATOM 1756 O ALA A 112 2.655 -1.730 -5.927 1.00 0.00 O ATOM 1757 CB ALA A 112 3.338 -4.847 -6.469 1.00 0.00 C ATOM 0 H ALA A 112 0.928 -3.721 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 112 3.364 -4.395 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.424 -4.827 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.003 -5.877 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.888 -4.426 -7.368 1.00 0.00 H new ATOM 1763 N LEU A 113 4.584 -2.234 -4.978 1.00 0.00 N ATOM 1764 CA LEU A 113 5.058 -0.828 -5.122 1.00 0.00 C ATOM 1765 C LEU A 113 5.256 -0.569 -6.622 1.00 0.00 C ATOM 1766 O LEU A 113 5.574 -1.476 -7.365 1.00 0.00 O ATOM 1767 CB LEU A 113 6.390 -0.704 -4.332 1.00 0.00 C ATOM 1768 CG LEU A 113 7.306 0.361 -4.967 1.00 0.00 C ATOM 1769 CD1 LEU A 113 6.888 1.757 -4.500 1.00 0.00 C ATOM 1770 CD2 LEU A 113 8.753 0.120 -4.534 1.00 0.00 C ATOM 0 H LEU A 113 5.242 -2.877 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 113 4.353 -0.095 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.180 -0.439 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.900 -1.667 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 113 7.221 0.292 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.541 2.503 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.857 1.947 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.968 1.817 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.398 0.874 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.823 0.184 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.070 -0.870 -4.860 1.00 0.00 H new ATOM 1782 N LEU A 114 5.058 0.629 -7.094 1.00 0.00 N ATOM 1783 CA LEU A 114 5.232 0.856 -8.566 1.00 0.00 C ATOM 1784 C LEU A 114 6.160 2.044 -8.876 1.00 0.00 C ATOM 1785 O LEU A 114 7.135 1.890 -9.585 1.00 0.00 O ATOM 1786 CB LEU A 114 3.820 1.085 -9.113 1.00 0.00 C ATOM 1787 CG LEU A 114 3.879 1.039 -10.658 1.00 0.00 C ATOM 1788 CD1 LEU A 114 3.802 -0.417 -11.125 1.00 0.00 C ATOM 1789 CD2 LEU A 114 2.696 1.814 -11.240 1.00 0.00 C ATOM 0 H LEU A 114 4.790 1.446 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 114 5.716 -0.000 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.140 0.321 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.435 2.048 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 114 4.813 1.488 -10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.843 -0.453 -12.214 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.641 -0.977 -10.712 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.867 -0.860 -10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.739 1.781 -12.329 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.763 1.364 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.741 2.851 -10.907 1.00 0.00 H new ATOM 1801 N LYS A 115 5.894 3.221 -8.367 1.00 0.00 N ATOM 1802 CA LYS A 115 6.821 4.371 -8.677 1.00 0.00 C ATOM 1803 C LYS A 115 7.300 5.008 -7.349 1.00 0.00 C ATOM 1804 O LYS A 115 6.529 5.124 -6.414 1.00 0.00 O ATOM 1805 CB LYS A 115 5.978 5.382 -9.527 1.00 0.00 C ATOM 1806 CG LYS A 115 6.420 6.831 -9.269 1.00 0.00 C ATOM 1807 CD LYS A 115 6.797 7.492 -10.598 1.00 0.00 C ATOM 1808 CE LYS A 115 5.813 8.623 -10.905 1.00 0.00 C ATOM 1809 NZ LYS A 115 6.193 9.106 -12.263 1.00 0.00 N ATOM 0 H LYS A 115 5.100 3.440 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 115 7.710 4.060 -9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.087 5.149 -10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.921 5.273 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.616 7.388 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.271 6.848 -8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.813 7.884 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.781 6.754 -11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.783 8.266 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.887 9.422 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.562 9.884 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.176 9.446 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.107 8.326 -12.946 1.00 0.00 H new ATOM 1823 N VAL A 116 8.551 5.435 -7.247 1.00 0.00 N ATOM 1824 CA VAL A 116 9.007 6.067 -5.948 1.00 0.00 C ATOM 1825 C VAL A 116 8.829 7.602 -5.988 1.00 0.00 C ATOM 1826 O VAL A 116 9.261 8.263 -6.911 1.00 0.00 O ATOM 1827 CB VAL A 116 10.509 5.693 -5.699 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.141 6.692 -4.726 1.00 0.00 C ATOM 1829 CG2 VAL A 116 10.591 4.296 -5.060 1.00 0.00 C ATOM 0 H VAL A 116 9.256 5.377 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 116 8.395 5.686 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 116 11.035 5.711 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.185 6.426 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.086 7.695 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.603 6.667 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.635 4.036 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.055 4.298 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.141 3.563 -5.729 1.00 0.00 H new ATOM 1839 N ASN A 117 8.219 8.163 -4.974 1.00 0.00 N ATOM 1840 CA ASN A 117 8.027 9.656 -4.914 1.00 0.00 C ATOM 1841 C ASN A 117 8.963 10.263 -3.865 1.00 0.00 C ATOM 1842 O ASN A 117 9.517 11.326 -4.063 1.00 0.00 O ATOM 1843 CB ASN A 117 6.576 9.902 -4.451 1.00 0.00 C ATOM 1844 CG ASN A 117 5.598 9.046 -5.262 1.00 0.00 C ATOM 1845 OD1 ASN A 117 5.988 8.375 -6.196 1.00 0.00 O ATOM 1846 ND2 ASN A 117 4.327 9.041 -4.936 1.00 0.00 N ATOM 0 H ASN A 117 7.841 7.652 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 117 8.235 10.103 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.482 9.666 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.326 10.957 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.667 8.473 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.000 9.605 -4.151 1.00 0.00 H new ATOM 1853 N GLU A 118 9.154 9.605 -2.753 1.00 0.00 N ATOM 1854 CA GLU A 118 10.063 10.168 -1.719 1.00 0.00 C ATOM 1855 C GLU A 118 10.839 9.028 -1.046 1.00 0.00 C ATOM 1856 O GLU A 118 10.414 7.877 -1.073 1.00 0.00 O ATOM 1857 CB GLU A 118 9.150 10.868 -0.714 1.00 0.00 C ATOM 1858 CG GLU A 118 9.722 12.245 -0.370 1.00 0.00 C ATOM 1859 CD GLU A 118 9.120 13.295 -1.307 1.00 0.00 C ATOM 1860 OE1 GLU A 118 8.047 13.047 -1.830 1.00 0.00 O ATOM 1861 OE2 GLU A 118 9.742 14.330 -1.485 1.00 0.00 O ATOM 0 H GLU A 118 8.723 8.710 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 118 10.795 10.859 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.148 10.973 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.058 10.266 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.497 12.495 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.808 12.235 -0.467 1.00 0.00 H new ATOM 1868 N VAL A 119 11.972 9.349 -0.443 1.00 0.00 N ATOM 1869 CA VAL A 119 12.828 8.308 0.216 1.00 0.00 C ATOM 1870 C VAL A 119 13.760 8.974 1.263 1.00 0.00 C ATOM 1871 O VAL A 119 14.382 9.978 0.980 1.00 0.00 O ATOM 1872 CB VAL A 119 13.701 7.720 -0.919 1.00 0.00 C ATOM 1873 CG1 VAL A 119 14.553 6.571 -0.373 1.00 0.00 C ATOM 1874 CG2 VAL A 119 12.825 7.183 -2.055 1.00 0.00 C ATOM 0 H VAL A 119 12.338 10.299 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 119 12.225 7.554 0.721 1.00 0.00 H new ATOM 0 HB VAL A 119 14.340 8.515 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.166 6.160 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 119 15.198 6.943 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 119 13.902 5.791 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.459 6.775 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 119 12.172 6.399 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.219 7.993 -2.461 1.00 0.00 H new ATOM 1884 N ASN A 120 13.876 8.432 2.468 1.00 0.00 N ATOM 1885 CA ASN A 120 14.795 9.082 3.491 1.00 0.00 C ATOM 1886 C ASN A 120 14.499 10.586 3.630 1.00 0.00 C ATOM 1887 O ASN A 120 15.412 11.388 3.673 1.00 0.00 O ATOM 1888 CB ASN A 120 16.209 8.905 2.909 1.00 0.00 C ATOM 1889 CG ASN A 120 17.240 8.947 4.043 1.00 0.00 C ATOM 1890 OD1 ASN A 120 18.137 9.767 4.030 1.00 0.00 O ATOM 1891 ND2 ASN A 120 17.156 8.091 5.029 1.00 0.00 N ATOM 0 H ASN A 120 13.391 7.592 2.784 1.00 0.00 H new ATOM 0 HA ASN A 120 14.670 8.635 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 120 16.278 7.957 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 120 16.417 9.693 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 120 17.842 8.113 5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 120 16.404 7.401 5.043 1.00 0.00 H new